 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_LCPBE_augccpVDZ.in
 Output=13_p-fenchone_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/13_p-fenchone_STD/Gau-12910.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12911.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=13_p-fenchone_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028300
 0000,3/108=0283000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=283000000,108=283000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "13_p-fenchone_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.283000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.283000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:              26.5 elap:               3.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.17D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               6.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636786003 LenY=  5636610001
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.491151917710    
 DIIS: error= 2.98D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.491151917710     IErMin= 1 ErrMin= 2.98D-03
 ErrMax= 2.98D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-02 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.98D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 GapD=    0.369 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.90D-02 MaxDP=2.71D+00              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.71D-02    CP:  1.29D+00
 E= -464.503255077366     Delta-E=       -0.012103159656 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.503255077366     IErMin= 2 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-03 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com:  0.119D+00 0.881D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.117D+00 0.883D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.98D-03 MaxDP=4.99D-01 DE=-1.21D-02 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-03    CP:  1.34D+00  1.14D+00
 E= -464.502906474614     Delta-E=        0.000348602752 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.503255077366     IErMin= 2 ErrMin= 1.19D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-03 BMatP= 1.62D-03
 IDIUse=3 WtCom= 2.08D-01 WtEn= 7.92D-01
 Coeff-Com: -0.271D-01 0.557D+00 0.470D+00
 Coeff-En:   0.000D+00 0.555D+00 0.445D+00
 Coeff:     -0.564D-02 0.555D+00 0.450D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=7.27D-04 MaxDP=9.65D-02 DE= 3.49D-04 OVMax= 7.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.38D-04    CP:  1.35D+00  1.17D+00  9.89D-01
 E= -464.504586625225     Delta-E=       -0.001680150611 Rises=F Damp=F
 DIIS: error= 7.38D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.504586625225     IErMin= 4 ErrMin= 7.38D-05
 ErrMax= 7.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.73D-06 BMatP= 1.62D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.762D-02 0.149D-01 0.499D-01 0.943D+00
 Coeff:     -0.762D-02 0.149D-01 0.499D-01 0.943D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=3.27D-04 MaxDP=4.77D-02 DE=-1.68D-03 OVMax= 8.64D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.06D-05    CP:  1.36D+00  1.18D+00  1.09D+00  1.14D+00
 E= -464.504598542298     Delta-E=       -0.000011917073 Rises=F Damp=F
 DIIS: error= 3.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.504598542298     IErMin= 5 ErrMin= 3.22D-05
 ErrMax= 3.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-06 BMatP= 9.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-03-0.500D-01-0.262D-01 0.343D+00 0.734D+00
 Coeff:     -0.223D-03-0.500D-01-0.262D-01 0.343D+00 0.734D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=5.95D-05 MaxDP=6.71D-03 DE=-1.19D-05 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.07D-05    CP:  1.36D+00  1.18D+00  1.12D+00  1.19D+00  1.08D+00
 E= -464.504600944175     Delta-E=       -0.000002401877 Rises=F Damp=F
 DIIS: error= 6.71D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.504600944175     IErMin= 6 ErrMin= 6.71D-06
 ErrMax= 6.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-08 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.578D-03-0.110D-01-0.858D-02 0.113D-01 0.143D+00 0.864D+00
 Coeff:      0.578D-03-0.110D-01-0.858D-02 0.113D-01 0.143D+00 0.864D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=9.13D-04 DE=-2.40D-06 OVMax= 1.05D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.77D-06    CP:  1.36D+00  1.18D+00  1.12D+00  1.19D+00  1.15D+00
                    CP:  1.18D+00
 E= -464.504601033332     Delta-E=       -0.000000089157 Rises=F Damp=F
 DIIS: error= 2.39D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.504601033332     IErMin= 7 ErrMin= 2.39D-06
 ErrMax= 2.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.91D-09 BMatP= 5.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-03-0.701D-03-0.991D-03-0.134D-01 0.822D-03 0.253D+00
 Coeff-Com:  0.761D+00
 Coeff:      0.168D-03-0.701D-03-0.991D-03-0.134D-01 0.822D-03 0.253D+00
 Coeff:      0.761D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=3.41D-06 MaxDP=3.81D-04 DE=-8.92D-08 OVMax= 3.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.66D-06    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.16D+00
                    CP:  1.24D+00  1.12D+00
 E= -464.504601042242     Delta-E=       -0.000000008910 Rises=F Damp=F
 DIIS: error= 7.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.504601042242     IErMin= 8 ErrMin= 7.78D-07
 ErrMax= 7.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.58D-10 BMatP= 6.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.316D-04 0.142D-02 0.100D-02-0.674D-02-0.234D-01-0.426D-01
 Coeff-Com:  0.253D+00 0.817D+00
 Coeff:     -0.316D-04 0.142D-02 0.100D-02-0.674D-02-0.234D-01-0.426D-01
 Coeff:      0.253D+00 0.817D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.49D-06 MaxDP=1.62D-04 DE=-8.91D-09 OVMax= 1.75D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.68D-07    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.17D+00
                    CP:  1.26D+00  1.22D+00  1.09D+00
 E= -464.504601043636     Delta-E=       -0.000000001394 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.504601043636     IErMin= 9 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-11 BMatP= 9.58D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.298D-03 0.245D-03-0.537D-03-0.425D-02-0.194D-01
 Coeff-Com:  0.101D-01 0.137D+00 0.877D+00
 Coeff:     -0.147D-04 0.298D-03 0.245D-03-0.537D-03-0.425D-02-0.194D-01
 Coeff:      0.101D-01 0.137D+00 0.877D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=2.52D-07 MaxDP=1.13D-05 DE=-1.39D-09 OVMax= 4.83D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.45D-07    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.17D+00
                    CP:  1.26D+00  1.24D+00  1.16D+00  1.15D+00
 E= -464.504601043727     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 6.66D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.504601043727     IErMin=10 ErrMin= 6.66D-08
 ErrMax= 6.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-12 BMatP= 2.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-08-0.828D-04-0.470D-04 0.644D-03 0.152D-02-0.833D-03
 Coeff-Com: -0.282D-01-0.573D-01 0.290D+00 0.794D+00
 Coeff:      0.176D-08-0.828D-04-0.470D-04 0.644D-03 0.152D-02-0.833D-03
 Coeff:     -0.282D-01-0.573D-01 0.290D+00 0.794D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.25D-07 MaxDP=1.97D-05 DE=-9.09D-11 OVMax= 2.08D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.93D-08    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.17D+00
                    CP:  1.26D+00  1.24D+00  1.17D+00  1.21D+00  1.01D+00
 E= -464.504601043717     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 1.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -464.504601043727     IErMin=11 ErrMin= 1.99D-08
 ErrMax= 1.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-13 BMatP= 6.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.932D-06-0.445D-04-0.299D-04 0.206D-03 0.727D-03 0.142D-02
 Coeff-Com: -0.784D-02-0.248D-01-0.568D-02 0.204D+00 0.832D+00
 Coeff:      0.932D-06-0.445D-04-0.299D-04 0.206D-03 0.727D-03 0.142D-02
 Coeff:     -0.784D-02-0.248D-01-0.568D-02 0.204D+00 0.832D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=2.74D-08 MaxDP=3.68D-06 DE= 1.02D-11 OVMax= 9.20D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.27D-08    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.17D+00
                    CP:  1.26D+00  1.24D+00  1.17D+00  1.22D+00  1.07D+00
                    CP:  1.17D+00
 E= -464.504601043746     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 9.13D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -464.504601043746     IErMin=12 ErrMin= 9.13D-09
 ErrMax= 9.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-14 BMatP= 4.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-06 0.894D-05 0.441D-05-0.748D-04-0.172D-03 0.118D-03
 Coeff-Com:  0.333D-02 0.685D-02-0.368D-01-0.979D-01-0.225D-01 0.115D+01
 Coeff:      0.111D-06 0.894D-05 0.441D-05-0.748D-04-0.172D-03 0.118D-03
 Coeff:      0.333D-02 0.685D-02-0.368D-01-0.979D-01-0.225D-01 0.115D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=4.22D-07 DE=-2.89D-11 OVMax= 6.93D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.43D-09    CP:  1.36D+00  1.18D+00  1.12D+00  1.20D+00  1.17D+00
                    CP:  1.26D+00  1.24D+00  1.17D+00  1.22D+00  1.08D+00
                    CP:  1.28D+00  1.36D+00
 E= -464.504601043632     Delta-E=        0.000000000113 Rises=F Damp=F
 DIIS: error= 4.65D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -464.504601043746     IErMin=13 ErrMin= 4.65D-09
 ErrMax= 4.65D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-14 BMatP= 6.04D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-06 0.105D-04 0.666D-05-0.569D-04-0.177D-03-0.233D-03
 Coeff-Com:  0.232D-02 0.631D-02-0.867D-02-0.612D-01-0.148D+00 0.300D+00
 Coeff-Com:  0.910D+00
 Coeff:     -0.163D-06 0.105D-04 0.666D-05-0.569D-04-0.177D-03-0.233D-03
 Coeff:      0.232D-02 0.631D-02-0.867D-02-0.612D-01-0.148D+00 0.300D+00
 Coeff:      0.910D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=4.50D-09 MaxDP=3.79D-07 DE= 1.13D-10 OVMax= 3.11D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.504601044     A.U. after   13 cycles
            NFock= 13  Conv=0.45D-08     -V/T= 2.0052
 KE= 4.621210941509D+02 PE=-2.446561569994D+03 EE= 8.369380882285D+02
 Leave Link  502 at Fri Jul 16 19:27:13 2021, MaxMem=  5637144576 cpu:            6199.4 elap:             781.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.80651396D+02

 Leave Link  801 at Fri Jul 16 19:27:13 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 1.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.72D-01 5.09D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.84D-02 3.12D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.28D-03 9.36D-03.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.93D-04 3.09D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.97D-05 8.35D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 7.24D-07 1.78D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.99D-08 3.68D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 8.93D-10 5.49D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.53D-11 7.50D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 5.93D-13 1.09D-07.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 2.10D-14 1.33D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128045D+03
      2  0.262454D+00  0.117584D+03
      3 -0.454864D+00  0.706073D+00  0.108374D+03
 Isotropic polarizability for W=    0.085645      118.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.120497D+01 -0.204366D+02  0.262495D+00
      2   0.832217D+01  0.309065D+02 -0.249121D+02
      3  -0.711720D+01 -0.104699D+02  0.246496D+02
      4   0.738008D+01  0.102429D+02  0.277522D+01
      5   0.131585D+02  0.210159D+01 -0.134026D+02
      6   0.183050D+01 -0.956329D+01  0.160703D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.169126D+01  0.825694D+01 -0.129803D+02
      2  -0.765127D+01 -0.822680D-01 -0.383090D+01
      3   0.164224D+02 -0.392922D+01 -0.228793D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.673632D+00  0.153488D+02 -0.265402D+02
      2  -0.128960D+02  0.944714D+00 -0.628538D+01
      3   0.278167D+02 -0.192075D+01 -0.271082D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.135350D+01  0.155184D+00 -0.700967D+00
      2   0.155184D+00 -0.621532D-01  0.914264D+00
      3  -0.700967D+00  0.914264D+00  0.736726D+00
 OR G Eigenvalues:    -1.6923    -0.4163     1.4297  Iso=     0.2263
 Eigenvectors:
   (1)   0.885526  -0.288524   0.364140
   (2)   0.426034   0.816923  -0.388757
   (3)  -0.185309   0.499390   0.846327
 w=    0.085645 a.u., Optical Rotation Beta=      0.2263 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       70.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.72D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.47D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.49D-02 2.03D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.04D-03 7.26D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 3.03D-05 8.94D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 6.18D-07 1.08D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 8.23D-09 1.06D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 8.53D-11 8.23D-07.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 6.88D-13 7.92D-08.
     18 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 7.49D-15 8.05D-09.
      3 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.96D-15 3.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   261 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.19D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128045D+03  0.262454D+00 -0.454864D+00
      2   0.262454D+00  0.117584D+03  0.706073D+00
      3  -0.454864D+00  0.706073D+00  0.108374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.169126D+01  0.825694D+01 -0.129803D+02
      2  -0.765127D+01 -0.822680D-01 -0.383090D+01
      3   0.164224D+02 -0.392922D+01 -0.228793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.120497D+01 -0.204366D+02  0.262495D+00
      2   0.832217D+01  0.309065D+02 -0.249121D+02
      3  -0.711720D+01 -0.104699D+02  0.246496D+02
      4   0.738008D+01  0.102429D+02  0.277522D+01
      5   0.131585D+02  0.210159D+01 -0.134026D+02
      6   0.183050D+01 -0.956329D+01  0.160703D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424706D+01  0.328522D+01  0.679924D+00  0.338998D+01 -0.615031D+00
      2   0.328522D+01 -0.303185D+00  0.105778D+01 -0.615031D+00 -0.409986D+01
      3   0.679924D+00  0.105778D+01  0.211808D+01  0.130322D+01  0.111795D+01
                 6             7             8             9            10 
      1   0.130322D+01  0.203568D+01  0.212741D+01  0.133718D+01 -0.450529D+01
      2   0.111795D+01  0.212741D+01  0.205512D+01 -0.350201D+01 -0.450284D+01
      3  -0.353337D+01  0.133718D+01 -0.350201D+01 -0.147547D+01 -0.165883D+00
                11            12            13            14            15 
      1  -0.450284D+01 -0.165883D+00 -0.380126D+01  0.249569D+00  0.346402D+00
      2  -0.729979D+00  0.515273D+00  0.249569D+00  0.217802D+01 -0.149040D+01
      3   0.515273D+00  0.631848D+00  0.346402D+00 -0.149040D+01  0.261032D+01
                16            17            18            19            20 
      1  -0.179095D+01 -0.909198D-01 -0.629144D+00 -0.754265D+00 -0.145300D+01
      2  -0.909198D-01 -0.298063D+01  0.256820D+01 -0.145300D+01  0.222684D+01
      3  -0.629144D+00  0.256820D+01  0.423679D+01 -0.839513D+00  0.471130D+00
                21            22            23            24            25 
      1  -0.839513D+00 -0.460974D+01  0.201230D+01  0.383324D+00 -0.233458D+01
      2   0.471130D+00  0.201230D+01  0.459272D+01  0.210100D+01  0.490932D+00
      3  -0.496366D+00  0.383324D+00  0.210100D+01  0.632977D+00 -0.966335D+00
                26            27            28            29            30 
      1   0.490932D+00 -0.966335D+00 -0.191715D+00 -0.213949D+01 -0.980404D+00
      2   0.245144D+01  0.172398D+01 -0.213949D+01 -0.356947D+00 -0.110677D+00
      3   0.172398D+01  0.878981D+00 -0.980404D+00 -0.110677D+00 -0.133280D+00
                31            32            33            34            35 
      1  -0.814895D+00 -0.521304D+00 -0.104096D+00 -0.618054D+00 -0.265287D+00
      2  -0.521304D+00 -0.117539D+02 -0.360935D+01 -0.265287D+00 -0.360360D+01
      3  -0.104096D+00 -0.360935D+01 -0.225202D+01  0.150769D+00 -0.385137D+01
                36            37            38            39            40 
      1   0.150769D+00 -0.321658D+01  0.832128D+00  0.567676D+00  0.242364D+01
      2  -0.385137D+01  0.832128D+00 -0.224449D+01 -0.249011D+01 -0.357496D+01
      3  -0.381784D+01  0.567676D+00 -0.249011D+01  0.228964D+01 -0.386379D+01
                41            42            43            44            45 
      1  -0.357496D+01 -0.386379D+01  0.104731D+01 -0.350148D+01  0.313783D+01
      2  -0.120809D+01 -0.894496D+00 -0.350148D+01 -0.172485D+01  0.206197D+00
      3  -0.894496D+00  0.990965D+00  0.313783D+01  0.206197D+00 -0.313639D+00
                46            47            48            49            50 
      1   0.144678D+01  0.408483D+00 -0.178013D+01  0.308268D+00  0.309623D+01
      2   0.408483D+00  0.211610D+01  0.389074D+01  0.309623D+01  0.597183D+00
      3  -0.178013D+01  0.389074D+01 -0.446831D+00  0.460058D+01 -0.103937D+00
                51            52            53            54            55 
      1   0.460058D+01 -0.142078D+01  0.440268D+01  0.145214D+00  0.207329D+00
      2  -0.103937D+00  0.440268D+01  0.718033D+00 -0.201516D+01  0.106935D+00
      3  -0.992128D+00  0.145214D+00 -0.201516D+01 -0.309222D+00  0.105208D+01
                56            57            58            59            60 
      1   0.106935D+00  0.105208D+01  0.908141D+00 -0.211609D+01 -0.262563D+01
      2  -0.217527D+01 -0.310464D+01 -0.211609D+01 -0.345633D+01 -0.111960D+01
      3  -0.310464D+01  0.169033D+01 -0.262563D+01 -0.111960D+01  0.134696D+00
                61            62            63            64            65 
      1   0.992509D+00 -0.322861D+01  0.230289D+01 -0.272624D+01 -0.356823D+01
      2  -0.322861D+01 -0.164830D+01 -0.101301D+01 -0.356823D+01  0.478484D-01
      3   0.230289D+01 -0.101301D+01  0.507777D+00 -0.810433D+00 -0.145215D+01
                66            67            68            69            70 
      1  -0.810433D+00 -0.367646D+01 -0.907622D+00 -0.157669D+01 -0.495602D+00
      2  -0.145215D+01 -0.907622D+00  0.255518D+01 -0.173192D+01 -0.177648D+01
      3  -0.134228D+01 -0.157669D+01 -0.173192D+01  0.409742D+01 -0.199817D+01
                71            72            73            74            75 
      1  -0.177648D+01 -0.199817D+01  0.487106D+00  0.261744D+00 -0.829131D+00
      2  -0.185648D+01  0.409966D+01  0.261744D+00 -0.162607D+00 -0.654343D-02
      3   0.409966D+01  0.179849D+01 -0.829131D+00 -0.654343D-02 -0.380038D+00
                76            77            78            79            80 
      1  -0.110919D+00  0.255811D+00  0.374696D+00 -0.150795D+01  0.533400D-01
      2   0.255811D+00 -0.685585D+00 -0.787757D+00  0.533400D-01 -0.113690D+01
      3   0.374696D+00 -0.787757D+00 -0.195414D+01  0.115101D+01 -0.397839D+00
                81            82            83            84            85 
      1   0.115101D+01  0.863979D+01  0.334788D+01 -0.118452D+01  0.270684D+01
      2  -0.397839D+00  0.334788D+01  0.282494D+01 -0.719472D+00  0.180597D+01
      3  -0.792944D+01 -0.118452D+01 -0.719472D+00  0.119497D+01 -0.492782D+00
                86            87            88            89            90 
      1   0.180597D+01 -0.492782D+00  0.686184D+00  0.220461D+00  0.961083D+00
      2   0.196907D+01 -0.215927D+00  0.220461D+00  0.721575D+00  0.262353D+00
      3  -0.215927D+00  0.352464D+00  0.961083D+00  0.262353D+00 -0.597570D+00
                91            92            93            94            95 
      1   0.300598D+01 -0.174178D+01 -0.146341D+01 -0.298033D+01  0.327122D+01
      2  -0.174178D+01  0.201212D+01  0.302013D+01  0.327122D+01  0.305962D+01
      3  -0.146341D+01  0.302013D+01 -0.282891D+01  0.389963D+01  0.975430D+00
                96            97            98            99           100 
      1   0.389963D+01 -0.511556D+00  0.315389D+01 -0.311592D+01  0.268094D+01
      2   0.975430D+00  0.315389D+01  0.190691D+01  0.917863D-01 -0.164355D+01
      3  -0.871633D+00 -0.311592D+01  0.917863D-01 -0.166560D+01 -0.296629D+00
               101           102           103           104           105 
      1  -0.164355D+01 -0.296629D+00 -0.162944D+01  0.414754D+01  0.301883D+01
      2   0.299529D+01  0.241525D+01  0.414754D+01  0.111741D+01  0.183484D+01
      3   0.241525D+01 -0.321655D+01  0.301883D+01  0.183484D+01 -0.492288D+00
               106           107           108           109           110 
      1  -0.119808D+01  0.336811D+01 -0.305724D+01 -0.866150D+00 -0.297721D+01
      2   0.336811D+01  0.129356D+01 -0.484580D+00 -0.297721D+01 -0.167951D+01
      3  -0.305724D+01 -0.484580D+00  0.137650D+01 -0.874913D-01 -0.400902D+01
               111           112           113           114           115 
      1  -0.874913D-01 -0.307519D+01 -0.175071D+01 -0.387347D+01  0.399404D+00
      2  -0.400902D+01 -0.175071D+01  0.352531D+00 -0.220024D+01 -0.366258D+01
      3  -0.518170D+00 -0.387347D+01 -0.220024D+01  0.299178D+01 -0.953929D+00
               116           117           118           119           120 
      1  -0.366258D+01 -0.953929D+00 -0.399824D+01  0.195977D+01  0.214783D+01
      2  -0.114112D+01  0.343956D+01  0.195977D+01 -0.249256D+01 -0.159445D+01
      3   0.343956D+01 -0.131154D+01  0.214783D+01 -0.159445D+01 -0.192469D+01
               121           122           123           124           125 
      1   0.172760D+01 -0.220569D+01 -0.156529D+01  0.200272D+01 -0.167283D+01
      2  -0.220569D+01  0.384938D+01  0.186469D+01 -0.167283D+01  0.207486D+01
      3  -0.156529D+01  0.186469D+01  0.197026D+01 -0.196352D+01  0.226126D+01
               126           127           128           129           130 
      1  -0.196352D+01  0.144262D+01  0.176435D+01  0.881301D-01  0.160534D+01
      2   0.226126D+01  0.176435D+01  0.296339D+01  0.579520D+00  0.206061D+01
      3   0.339766D+01  0.881301D-01  0.579520D+00  0.278234D+00  0.377025D+00
               131           132           133           134           135 
      1   0.206061D+01  0.377025D+00  0.583237D+00  0.941311D+00  0.179698D+00
      2   0.919828D+01  0.114898D+01  0.941311D+00  0.293302D+01  0.147985D+01
      3   0.114898D+01  0.112332D+01  0.179698D+00  0.147985D+01  0.879803D+00
               136           137           138           139           140 
      1  -0.282987D+01  0.114252D+01 -0.168442D+01  0.632502D+00 -0.100241D+01
      2   0.114252D+01 -0.193109D+01  0.147914D+01 -0.100241D+01  0.271675D+01
      3  -0.168442D+01  0.147914D+01 -0.199229D+01  0.811102D+00 -0.131728D+01
               141           142           143           144           145 
      1   0.811102D+00 -0.209569D+01  0.120327D+01 -0.181363D+01  0.637265D-01
      2  -0.131728D+01  0.120327D+01 -0.228320D+01  0.217128D+01 -0.294687D+00
      3   0.131619D+01 -0.181363D+01  0.217128D+01 -0.369619D+01  0.582613D+00
               146           147           148           149           150 
      1  -0.294687D+00  0.582613D+00 -0.128438D+01  0.148344D+01 -0.445359D+00
      2  -0.354408D+00  0.217549D+00  0.148344D+01 -0.540814D+01  0.264116D+01
      3   0.217549D+00 -0.147280D+00 -0.445359D+00  0.264116D+01 -0.269662D+01
               151           152           153           154           155 
      1   0.163923D+01 -0.832878D+00  0.987121D+00  0.825896D+01  0.149715D+01
      2  -0.832878D+00  0.331758D+01 -0.280914D+01  0.149715D+01  0.134015D+01
      3   0.987121D+00 -0.280914D+01  0.291160D+01  0.144636D+01  0.351460D+00
               156           157           158           159           160 
      1   0.144636D+01  0.442694D+01  0.135999D+01  0.807304D+00  0.194618D+01
      2   0.351460D+00  0.135999D+01  0.144827D+01  0.501826D+00  0.420136D+00
      3   0.134354D+01  0.807304D+00  0.501826D+00  0.541123D+00  0.159342D+01
               161           162           163           164           165 
      1   0.420136D+00  0.159342D+01  0.169403D+01 -0.541950D+00 -0.110408D+01
      2   0.648732D+00 -0.147497D+00 -0.541950D+00  0.699618D+00  0.783606D+00
      3  -0.147497D+00  0.699090D+00 -0.110408D+01  0.783606D+00  0.109188D+01
               166           167           168           169           170 
      1  -0.117553D+01  0.147031D+01  0.101173D+01 -0.322393D+01  0.185441D+01
      2   0.147031D+01 -0.257828D+01 -0.132578D+01  0.185441D+01 -0.237126D+01
      3   0.101173D+01 -0.132578D+01 -0.210731D+01  0.223555D+01 -0.243604D+01
               171           172           173           174           175 
      1   0.223555D+01  0.155150D+01  0.262126D+00  0.101378D+01  0.587405D-01
      2  -0.243604D+01  0.262126D+00  0.703429D+00 -0.898086D+00 -0.331400D-01
      3  -0.476602D+01  0.101378D+01 -0.898086D+00  0.234699D+01 -0.519189D+00
               176           177           178           179           180 
      1  -0.331400D-01 -0.519189D+00  0.174247D+01 -0.205326D+00  0.911674D+00
      2  -0.118646D+01  0.105670D+01 -0.205326D+00  0.128308D+01 -0.154974D+01
      3   0.105670D+01 -0.120342D+01  0.911674D+00 -0.154974D+01  0.617380D+01
               181           182           183           184           185 
      1  -0.237277D+01 -0.161244D+01  0.139455D-02 -0.281703D+01 -0.323852D+01
      2  -0.161244D+01 -0.207517D+01 -0.367002D+00 -0.323852D+01 -0.622903D+01
      3   0.139455D-02 -0.367002D+00 -0.172857D+00 -0.132897D+00 -0.929695D-01
               186           187           188           189           190 
      1  -0.132897D+00 -0.132702D+01 -0.115887D+01 -0.985045D-01 -0.735888D+01
      2  -0.929695D-01 -0.115887D+01 -0.158754D+01 -0.655324D+00  0.151437D+01
      3  -0.128353D+01 -0.985045D-01 -0.655324D+00 -0.584337D+00  0.256909D+01
               191           192           193           194           195 
      1   0.151437D+01  0.256909D+01  0.403771D+01 -0.191227D+01 -0.185897D+01
      2  -0.163755D+01 -0.649070D+00 -0.191227D+01  0.136121D+01  0.608051D+00
      3  -0.649070D+00 -0.182407D+01 -0.185897D+01  0.608051D+00  0.169431D+01
               196           197           198           199           200 
      1   0.162610D+01 -0.717311D+00 -0.134343D+01  0.149458D+01  0.822235D+00
      2  -0.717311D+00  0.237392D+00  0.475507D+00  0.822235D+00  0.549014D+00
      3  -0.134343D+01  0.475507D+00  0.167555D+01 -0.619280D+00 -0.720665D+00
               201           202           203           204           205 
      1  -0.619280D+00  0.115299D+01  0.577375D-01 -0.291926D+00 -0.130783D+01
      2  -0.720665D+00  0.577375D-01  0.123033D+01 -0.133424D+01 -0.602691D+00
      3   0.228143D+01 -0.291926D+00 -0.133424D+01  0.173008D+01  0.663278D+00
               206           207           208           209           210 
      1  -0.602691D+00  0.663278D+00 -0.663207D+01  0.277927D+01 -0.313826D+00
      2  -0.158005D+01  0.167229D+01  0.277927D+01 -0.249066D+01 -0.723819D-01
      3   0.167229D+01 -0.562485D+01 -0.313826D+00 -0.723819D-01 -0.884945D+00
               211           212           213           214           215 
      1   0.408878D+01 -0.306322D+01  0.345729D-01  0.181199D+01 -0.915110D+00
      2  -0.306322D+01  0.292380D+01 -0.357646D+00 -0.915110D+00  0.577827D+00
      3   0.345729D-01 -0.357646D+00  0.101808D+01 -0.465387D+00  0.513341D+00
               216           217           218           219           220 
      1  -0.465387D+00 -0.320161D+01 -0.149513D+01 -0.127867D+01 -0.343137D+01
      2   0.513341D+00 -0.149513D+01 -0.184515D+01 -0.101799D+01 -0.266940D+01
      3   0.351215D+00 -0.127867D+01 -0.101799D+01 -0.886232D+00 -0.199692D+01
               221           222           223           224           225 
      1  -0.266940D+01 -0.199692D+01 -0.115903D+01 -0.109564D+01 -0.101388D+01
      2  -0.378272D+01 -0.166741D+01 -0.109564D+01 -0.121216D+01 -0.114552D+01
      3  -0.166741D+01 -0.230737D+01 -0.101388D+01 -0.114552D+01 -0.189962D+01
               226           227           228           229           230 
      1  -0.964334D+00 -0.392383D+00  0.949827D+00 -0.828676D+00  0.443492D-01
      2  -0.392383D+00 -0.155218D+00  0.607905D+00  0.443492D-01 -0.223495D+01
      3   0.949827D+00  0.607905D+00 -0.557884D+00  0.422188D+00  0.227272D+01
               231           232           233           234           235 
      1   0.422188D+00  0.118021D+01  0.363067D+00 -0.101258D+00  0.439762D+01
      2   0.227272D+01  0.363067D+00  0.157723D+01 -0.212543D+01  0.237850D+01
      3  -0.350426D+01 -0.101258D+00 -0.212543D+01  0.621170D+01  0.233913D+01
               236           237           238           239           240 
      1   0.237850D+01  0.233913D+01  0.276777D+01  0.229528D+01  0.195640D+01
      2   0.215504D+01  0.182278D+01  0.229528D+01  0.347360D+01  0.212561D+01
      3   0.182278D+01  0.248574D+01  0.195640D+01  0.212561D+01  0.199410D+01
               241           242           243 
      1   0.129782D+01  0.112699D+01  0.176364D+01
      2   0.112699D+01  0.132971D+01  0.116738D+01
      3   0.176364D+01  0.116738D+01  0.289239D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.569241D+00  0.272766D+01  0.168230D+00  0.509747D+00  0.218408D+01
      2  -0.321122D+01 -0.219628D+00  0.118435D+02  0.142741D+01  0.202500D+01
      3  -0.492488D+01 -0.681988D+01  0.349909D+00  0.336565D+01  0.544438D+01
                 6             7             8             9            10 
      1  -0.444966D+01  0.156720D+01  0.193034D+01 -0.255094D+00  0.548225D+01
      2  -0.565094D+01 -0.205136D+00 -0.936415D+01 -0.384457D+01 -0.193349D+01
      3  -0.199399D+01 -0.345103D+01 -0.714731D+01  0.447812D+01  0.863183D+01
                11            12            13            14            15 
      1  -0.152145D+01 -0.176850D+01 -0.148210D+01  0.139312D+01 -0.147731D+01
      2  -0.224336D+00  0.296791D+01 -0.405383D+01 -0.138725D+01  0.584355D+01
      3  -0.442197D+01 -0.158972D+01 -0.213144D+01 -0.351192D+01  0.297696D+01
                16            17            18            19            20 
      1  -0.786965D+00  0.410649D+01 -0.860122D+01  0.380280D-02 -0.130886D+01
      2  -0.404065D+01  0.793819D+01  0.111083D+02  0.255977D+01  0.419647D+01
      3  -0.485982D+00  0.780614D+01 -0.467771D+01  0.255838D+01  0.459538D+00
                21            22            23            24            25 
      1  -0.141628D+01  0.120236D+01 -0.720107D+01  0.619584D+01 -0.970659D+00
      2  -0.697702D+01  0.110828D+02 -0.126732D+01  0.309197D+01 -0.206442D+02
      3  -0.320983D+01  0.597294D+01 -0.355735D+01  0.919233D+00 -0.991525D+01
                26            27            28            29            30 
      1   0.975770D+01  0.899109D+01 -0.266188D+00  0.731817D+00 -0.224131D+00
      2   0.395356D+01  0.218429D+01 -0.144717D+01 -0.155887D+01  0.341603D+01
      3   0.731281D+00 -0.855232D+00 -0.366743D+00  0.468911D+00  0.195400D+01
                31            32            33            34            35 
      1  -0.463399D+00  0.390510D+01 -0.100464D+02 -0.106709D+00 -0.155569D+00
      2  -0.949541D+01  0.278805D+00  0.180051D+01  0.807012D+00 -0.305506D-01
      3   0.128513D+02  0.260691D+01  0.142696D+01  0.970524D+01  0.752479D+00
                36            37            38            39            40 
      1  -0.691206D+01  0.796967D+00 -0.242337D+01  0.309893D+01 -0.762878D+00
      2   0.468457D+00  0.159199D+01  0.274627D+01  0.157707D+01  0.614048D+01
      3   0.108406D+01 -0.162939D+01 -0.116028D+02 -0.434182D+01 -0.184002D+01
                41            42            43            44            45 
      1  -0.153367D+01 -0.620576D+01  0.199507D+01  0.291512D+01 -0.386987D+00
      2   0.402029D+01 -0.505168D+01 -0.776545D+01  0.504208D+00 -0.195199D+01
      3  -0.742827D+00 -0.449601D+01 -0.611468D+01 -0.157924D+01  0.547875D+00
                46            47            48            49            50 
      1   0.365218D+01 -0.459733D+01  0.527741D+01 -0.541645D+01  0.446225D+00
      2   0.178855D+01 -0.196324D+01  0.494330D+01 -0.417195D+01 -0.107683D+01
      3  -0.263143D+01 -0.185725D+01 -0.471040D+00  0.463484D+01  0.463980D+01
                51            52            53            54            55 
      1  -0.150898D-01  0.551719D+01  0.737363D+01 -0.607299D+00 -0.453288D+01
      2  -0.348960D+01 -0.220919D+01 -0.458307D+01 -0.383346D+00 -0.954080D+00
      3   0.582794D+01  0.425209D+00  0.564854D+01 -0.194622D+01  0.873832D+00
                56            57            58            59            60 
      1   0.115215D+02 -0.467874D+01  0.105362D+02  0.575554D+01 -0.218797D+01
      2   0.436128D+00  0.292751D+01  0.673326D+00 -0.117840D+01 -0.165817D+01
      3  -0.184455D+01  0.324177D+01  0.591553D+01 -0.589167D+01 -0.862966D+01
                61            62            63            64            65 
      1  -0.632453D+01  0.558746D+01 -0.242065D+01 -0.710053D+00 -0.248041D+01
      2  -0.666923D+00 -0.222665D+01  0.238724D+01 -0.944425D+00 -0.388991D+01
      3   0.353491D+01 -0.104489D+02  0.778274D+01  0.144822D+02  0.226965D+01
                66            67            68            69            70 
      1  -0.184371D+01 -0.255867D+01 -0.205135D+01  0.417658D+01 -0.510675D+01
      2  -0.141728D+01 -0.535108D+01 -0.466064D+01  0.120194D+02 -0.929415D+01
      3   0.573804D+01  0.106695D+02 -0.770527D+01  0.748515D+01  0.597228D+01
                71            72            73            74            75 
      1   0.848072D+01  0.309655D+01  0.592750D+00  0.753102D+00  0.548970D+00
      2   0.125444D+02  0.539409D+01 -0.222704D+01 -0.113342D+00 -0.110241D+01
      3   0.705885D+01 -0.103548D+02 -0.778611D+00 -0.119064D+00 -0.618390D+00
                76            77            78            79            80 
      1  -0.120123D+00  0.289359D+01  0.173970D+01 -0.140364D+01  0.520743D+01
      2  -0.620160D+00 -0.150904D+01 -0.367241D+01 -0.292137D+01 -0.835268D+00
      3   0.445211D+00  0.198139D+01  0.114377D+01 -0.114586D+01  0.231934D+01
                81            82            83            84            85 
      1   0.950430D+01 -0.157131D+01 -0.221206D+01 -0.159952D+01 -0.131719D+01
      2  -0.136088D+02  0.537740D+01 -0.390104D+00  0.434334D+01  0.279814D+01
      3   0.189955D+01  0.328872D+01 -0.604297D+01  0.704199D+00  0.172383D+01
                86            87            88            89            90 
      1  -0.152771D+01 -0.137998D+01 -0.695212D+00 -0.194787D+00  0.468617D+00
      2   0.134322D+01  0.612413D+00  0.557889D+00 -0.811154D+00 -0.624323D+00
      3  -0.230094D+01 -0.541145D+00  0.153652D+00 -0.204898D+01  0.307063D+00
                91            92            93            94            95 
      1  -0.339632D+01  0.638482D+01  0.373513D+00  0.820297D+01  0.749988D+01
      2   0.458302D+00 -0.587468D+01  0.107939D+02 -0.901852D+01 -0.676272D+01
      3  -0.654349D+01  0.433333D+01  0.916299D+01  0.106811D+02  0.623317D+01
                96            97            98            99           100 
      1  -0.440918D+00  0.126119D+01  0.472819D+01 -0.373134D+01  0.101398D+01
      2  -0.131721D+01  0.764675D+01 -0.477426D+01  0.111485D+02  0.367377D+01
      3   0.961685D+00  0.100083D+02  0.148048D+01  0.310213D+01 -0.297195D+01
               101           102           103           104           105 
      1  -0.412389D+01 -0.405061D+01 -0.678669D+01 -0.211147D+01 -0.540009D+01
      2  -0.810703D+01  0.103313D+02 -0.863790D+01 -0.164774D+01  0.566947D+01
      3   0.596055D+01  0.678104D+01  0.136597D+02  0.351504D+01  0.667869D+01
               106           107           108           109           110 
      1  -0.504468D+01 -0.118549D+01  0.210656D+00 -0.634427D+01 -0.580788D-01
      2   0.611370D+01  0.512652D+01 -0.872833D+01 -0.336872D+01 -0.494173D+00
      3   0.103024D+02  0.432589D+01 -0.234393D+01  0.327748D+01 -0.417820D+01
               111           112           113           114           115 
      1  -0.792338D+01 -0.623571D+00 -0.769363D+00 -0.100918D+02 -0.630385D+01
      2  -0.721895D+00  0.117082D+01 -0.214411D+01  0.100543D+02 -0.464172D+01
      3   0.244714D+01  0.123447D+01 -0.360515D+01 -0.107233D-01  0.356520D+01
               116           117           118           119           120 
      1  -0.287039D+01  0.593168D+01 -0.152505D+01 -0.930751D+00  0.230599D+01
      2   0.100373D+02 -0.242226D+01  0.329723D+01 -0.799407D+00  0.123262D+01
      3  -0.401352D+00 -0.374026D+01 -0.583058D+01 -0.143603D+01  0.196323D+01
               121           122           123           124           125 
      1   0.487461D+00  0.145381D+01 -0.316774D+01  0.128189D+01  0.521085D+00
      2  -0.118888D+01  0.903417D+00 -0.109469D+01 -0.311152D+01  0.324755D+00
      3   0.324994D+01  0.955783D-01 -0.123597D+01  0.313366D+01  0.835874D-01
               126           127           128           129           130 
      1  -0.375716D+01 -0.752500D+00 -0.344310D+01 -0.173784D+01 -0.217009D+01
      2  -0.999449D+00  0.470139D+00  0.520258D+00  0.146861D+01  0.418172D+00
      3  -0.129566D+01  0.416266D+01  0.210754D+01  0.218537D+00  0.626063D+01
               131           132           133           134           135 
      1  -0.692683D+01 -0.646291D+01 -0.433959D+00 -0.364959D+01 -0.397689D+01
      2   0.104295D+01  0.110216D+01 -0.327542D+00  0.616374D+00 -0.146506D+00
      3   0.286148D+01  0.920798D+00  0.222029D+01  0.164730D+01 -0.158137D+00
               136           137           138           139           140 
      1   0.487457D+01 -0.177757D+01  0.595146D+01 -0.133549D+01  0.182093D+01
      2  -0.363998D+01  0.383676D+00 -0.777993D+00  0.662151D+00 -0.116111D+01
      3  -0.994753D+01  0.112550D+01 -0.459467D+01  0.271332D+01 -0.210342D+01
               141           142           143           144           145 
      1  -0.334879D+01  0.510619D+01 -0.182906D+01  0.958294D+01  0.702119D+00
      2   0.611865D-01 -0.487571D+01  0.995360D+00 -0.155249D+01  0.178635D+01
      3   0.262743D+01 -0.743762D+01  0.323456D+01 -0.542759D+01  0.116478D+01
               146           147           148           149           150 
      1  -0.569168D-01 -0.437034D+00 -0.353622D+00  0.162000D+01 -0.543442D+01
      2   0.134291D+00 -0.583700D-01  0.610637D-01  0.701249D+01 -0.800386D+01
      3   0.312436D+00 -0.132192D+01  0.123319D-01  0.139144D+02 -0.740168D+01
               151           152           153           154           155 
      1   0.684640D+00 -0.136650D+01  0.436540D+01  0.194316D+01  0.135206D+01
      2  -0.642422D-01 -0.742367D+01  0.802017D+01  0.225283D+01  0.878378D+00
      3  -0.112322D+01 -0.914416D+01  0.726655D+01 -0.123179D+02 -0.860127D+01
               156           157           158           159           160 
      1   0.105217D+01  0.112427D+01  0.127945D+01 -0.376708D+00  0.159689D+01
      2   0.595454D+01  0.154281D+01  0.115155D+01  0.250605D+01  0.251654D+01
      3  -0.280720D+01 -0.641031D+01 -0.719955D+01 -0.222773D+01 -0.343822D+01
               161           162           163           164           165 
      1   0.981930D+00  0.464569D+00 -0.169414D+01  0.106664D+01  0.194796D+01
      2  -0.552056D+00  0.209587D+01 -0.343528D+01  0.275670D+01  0.424639D+01
      3  -0.316562D+01 -0.985072D+00  0.334966D+00 -0.211551D+01 -0.861163D+00
               166           167           168           169           170 
      1   0.166111D+01 -0.138340D+01 -0.463772D+01  0.307851D+01 -0.150271D+01
      2   0.238312D+01 -0.388515D+01 -0.697404D+01  0.377391D+01 -0.696501D+01
      3  -0.828440D+00  0.594120D+01  0.274629D+01 -0.256294D+00  0.591172D+01
               171           172           173           174           175 
      1  -0.782116D+01  0.257303D+01  0.135362D+01  0.180027D+01 -0.359239D+00
      2  -0.146391D+02 -0.848020D+01  0.844276D+00 -0.689752D+01  0.154733D+01
      3   0.509319D+01 -0.320790D+01  0.456813D+00 -0.337188D+01  0.106493D+01
               176           177           178           179           180 
      1  -0.104972D+01 -0.800240D+00  0.134000D+01  0.260367D+01  0.469445D+01
      2  -0.231929D+01  0.325097D+01 -0.917787D+01  0.342362D+01 -0.159981D+02
      3  -0.228226D+01  0.263312D+01 -0.359656D+01  0.269131D+01 -0.522224D+01
               181           182           183           184           185 
      1  -0.257843D+01 -0.335729D+01 -0.120526D+01 -0.445713D+01 -0.883230D+01
      2   0.274691D+01  0.275785D+01  0.126489D+01  0.351208D+01  0.458767D+01
      3  -0.134731D+01 -0.473315D+01 -0.758583D+00 -0.252172D+01 -0.133752D+02
               186           187           188           189           190 
      1  -0.460669D+01 -0.876404D+00 -0.202404D+01 -0.280234D+01  0.387370D+01
      2   0.479686D+01 -0.949590D-01  0.265348D+01  0.222474D+01  0.240077D+01
      3  -0.491379D+00 -0.486871D+00 -0.348016D+01 -0.198246D+01  0.766458D+01
               191           192           193           194           195 
      1  -0.395421D+01 -0.164381D+01 -0.332902D+01  0.282300D+01  0.267891D+00
      2  -0.519880D+00  0.392067D+01  0.601052D-01  0.608813D+00 -0.387112D+01
      3  -0.769069D+01 -0.316552D+01 -0.463705D+01  0.552479D+01  0.155196D+01
               196           197           198           199           200 
      1  -0.218748D+01  0.166911D+01  0.191124D+01 -0.203005D+01 -0.230666D+01
      2  -0.749451D+00 -0.780322D-01 -0.289907D+01  0.690208D+01  0.381232D+01
      3  -0.318484D+01  0.195649D+01  0.200934D+01  0.322828D+01  0.152524D+01
               201           202           203           204           205 
      1   0.476992D+00 -0.118838D+01 -0.267714D+01  0.500116D+00  0.139008D+01
      2  -0.593385D+01  0.420644D+01  0.420781D+01 -0.520487D+01 -0.746657D+01
      3  -0.215192D+01  0.250393D+01  0.363139D+01 -0.346419D+01 -0.300453D+01
               206           207           208           209           210 
      1   0.443449D+01 -0.607107D+00 -0.318156D+01  0.327450D+01  0.178720D+01
      2  -0.581257D+01  0.146089D+02 -0.511758D+01  0.324554D+01  0.429458D+01
      3  -0.390858D+01  0.458145D+01  0.434988D+01 -0.763129D+01 -0.422865D+00
               211           212           213           214           215 
      1   0.350438D+01 -0.328963D+01 -0.176983D+01  0.921442D+00  0.139744D+00
      2   0.380769D+01 -0.166714D+01 -0.446310D+01  0.496389D+00 -0.144440D+01
      3  -0.451929D+01  0.790406D+01 -0.895494D+00 -0.180932D+01  0.189089D+01
               216           217           218           219           220 
      1  -0.130372D+01  0.274487D+01  0.336477D+01  0.117929D+01  0.365702D+01
      2  -0.202727D+01 -0.516314D+00  0.637181D+00  0.196290D+01  0.104821D+00
      3   0.114089D+01 -0.420819D+01 -0.618862D+01 -0.305017D+01 -0.443621D+01
               221           222           223           224           225 
      1   0.736354D+01  0.414921D+00  0.216519D+01  0.321750D+01  0.145193D+01
      2   0.133365D+01  0.482008D+01 -0.363716D+00  0.113520D+01  0.372834D+01
      3  -0.119062D+02 -0.414763D+01 -0.301421D+01 -0.403967D+01 -0.310282D+01
               226           227           228           229           230 
      1  -0.163249D+01 -0.186444D+01  0.185853D+01 -0.368011D+00 -0.659955D+01
      2   0.457548D+01  0.226427D+01 -0.160746D+01  0.478915D+01  0.261552D+01
      3   0.541388D+00 -0.717914D-01 -0.133091D+00  0.233540D+01  0.262550D+01
               231           232           233           234           235 
      1   0.448226D+01  0.130092D+01  0.727996D+01 -0.666988D+01  0.253111D+01
      2  -0.527105D+01 -0.535748D+01 -0.344353D+01  0.604512D+01 -0.483300D+01
      3  -0.215797D+01 -0.790195D+00 -0.110565D+01  0.238011D+01  0.201504D+01
               236           237           238           239           240 
      1   0.388586D+01  0.701899D+00  0.243352D+01  0.516195D+01  0.337441D+00
      2  -0.110606D+01  0.219007D+01 -0.385018D+01 -0.464459D+00  0.938014D-01
      3  -0.245411D+01 -0.452427D-01  0.205077D+01 -0.260441D+01 -0.432966D+00
               241           242           243 
      1   0.116628D+01  0.263318D+01 -0.466390D+00
      2  -0.195515D+01 -0.104148D+01  0.638075D+00
      3   0.233524D+00 -0.106928D+01  0.419058D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.163230D+02  0.622291D+01 -0.120393D+01  0.130137D+02  0.759153D+00
      2  -0.100570D+02 -0.350130D+01 -0.262968D+01 -0.834764D+01  0.498209D+01
      3  -0.626599D+01 -0.272160D+01  0.383360D+01 -0.466606D+01 -0.574125D+01
      4   0.119086D+02  0.419344D+01  0.140060D+01  0.291143D+01 -0.412968D+01
      5  -0.136292D+01  0.370160D+01  0.987630D+01  0.690647D+01  0.812275D+01
      6  -0.947643D+00  0.125395D+01  0.606059D+01  0.418451D+01  0.688974D+01
                 6             7             8             9            10 
      1   0.330860D+01  0.368078D+01  0.619051D+01  0.713210D+01 -0.197813D+02
      2   0.150055D+00 -0.170166D+01  0.198418D-01 -0.213164D+01  0.296233D+01
      3  -0.345865D+01 -0.197912D+01 -0.621036D+01 -0.500046D+01  0.168190D+02
      4   0.488366D+01  0.495706D+01  0.731554D+01 -0.118436D+02 -0.248871D+02
      5  -0.536506D+01  0.655100D+01 -0.120943D+02 -0.148060D+01  0.849499D+01
      6  -0.134475D+01 -0.417318D+01 -0.302648D+01 -0.111745D+01  0.692290D+01
                11            12            13            14            15 
      1  -0.166357D+02  0.898808D+00 -0.173727D+02 -0.531387D+01  0.746822D+01
      2   0.125258D+02  0.236802D+01  0.103945D+02 -0.100011D+01  0.921380D+00
      3   0.410991D+01 -0.326682D+01  0.697820D+01  0.631398D+01 -0.838960D+01
      4  -0.120683D+02  0.291660D+01 -0.115183D+02  0.288984D+01 -0.410635D+01
      5   0.883909D+01  0.194325D+01  0.582088D+01 -0.599746D+01  0.736084D+01
      6   0.614437D+01 -0.121685D+01  0.624594D+00 -0.642951D+01  0.505047D+01
                16            17            18            19            20 
      1  -0.567901D+01  0.376550D+01  0.576023D+01 -0.197209D+02 -0.199269D+00
      2   0.275560D+01  0.593508D+00  0.137738D+02  0.123788D+02 -0.265068D+01
      3   0.292341D+01 -0.435901D+01 -0.195340D+02  0.734214D+01  0.284995D+01
      4  -0.245945D+01 -0.534604D+01  0.777481D+01 -0.187257D+01 -0.413587D+01
      5   0.146174D+01  0.969967D+01  0.916872D+01  0.131707D+01 -0.917665D+00
      6   0.274772D+01  0.807888D+01 -0.735597D+00  0.122129D+01 -0.190418D+01
                21            22            23            24            25 
      1  -0.959581D+00 -0.248402D+01  0.171752D+02  0.649773D+01 -0.323858D+01
      2   0.863403D+00  0.273903D+00 -0.249462D+02 -0.140270D+01  0.341560D+01
      3   0.961789D-01  0.221012D+01  0.777107D+01 -0.509504D+01 -0.177025D+00
      4   0.421806D+00 -0.835981D+01  0.315899D+01 -0.244233D-01 -0.717763D+01
      5  -0.773021D+01 -0.939320D+01 -0.366886D+01  0.296878D+01 -0.978933D+00
      6  -0.871097D+00 -0.247092D+00 -0.180701D+02 -0.110396D+02 -0.176207D+00
                26            27            28            29            30 
      1   0.800450D+01  0.238325D+01  0.246686D+01 -0.119768D+01 -0.933045D+00
      2  -0.143827D+02 -0.588832D+01  0.204300D+01  0.194361D+01  0.223419D+00
      3   0.637822D+01  0.350507D+01 -0.450986D+01 -0.745927D+00  0.709626D+00
      4  -0.603933D+00  0.237163D+01  0.115837D+01  0.124126D+02  0.322281D+01
      5   0.157098D+01 -0.699836D-01 -0.112741D+00  0.285507D+01  0.728441D+01
      6  -0.261831D+01 -0.106857D+02  0.412555D+01  0.666491D+00  0.137710D+01
                31            32            33            34            35 
      1   0.122171D+01 -0.414678D+02 -0.145751D+02  0.459136D+00 -0.166363D+02
      2  -0.341911D+00  0.619856D+02  0.117722D+02 -0.853181D+00  0.128837D+02
      3  -0.879797D+00 -0.205177D+02  0.280296D+01  0.394045D+00  0.375262D+01
      4   0.160352D+02  0.111409D+00 -0.728651D+00  0.564873D+01 -0.911716D+00
      5   0.503541D+01  0.171727D+01  0.124887D+01  0.849284D+01  0.217394D+01
      6  -0.235265D+00  0.290670D+02  0.229351D+02  0.933636D+00  0.249896D+02
                36            37            38            39            40 
      1  -0.178547D+02  0.134481D+02  0.215317D+01  0.669043D+00 -0.614482D+01
      2   0.769149D+01 -0.431927D+01 -0.192672D+01  0.151635D+01  0.679175D+01
      3   0.101632D+02 -0.912879D+01 -0.226450D+00 -0.218539D+01 -0.646931D+00
      4  -0.296104D+00 -0.409117D+01  0.930784D+01  0.106338D+02  0.626639D+01
      5   0.230320D+01 -0.525965D+01  0.899506D+01 -0.646230D+01  0.145535D+02
      6   0.228851D+02  0.510090D+01 -0.102769D+01 -0.742812D+01  0.127531D+01
                41            42            43            44            45 
      1   0.824500D+01  0.104573D+02 -0.117293D+01  0.115131D+02 -0.123712D+02
      2  -0.412946D+01 -0.102655D+02 -0.470639D+00 -0.843440D+01  0.843952D+01
      3  -0.411554D+01 -0.191775D+00  0.164357D+01 -0.307873D+01  0.393173D+01
      4  -0.199511D+01  0.402232D+01  0.146171D+02  0.421179D+00 -0.383699D+01
      5   0.389600D+01 -0.953122D+01 -0.148958D+02 -0.190117D+01 -0.158516D+01
      6   0.655148D+00 -0.137709D+01 -0.408146D+01 -0.168205D+01  0.604638D+01
                46            47            48            49            50 
      1  -0.614339D+00 -0.544191D+01 -0.841985D+01 -0.806567D+01 -0.467936D+01
      2   0.424816D+01  0.245186D+01  0.113939D+02  0.357959D+01  0.450795D+01
      3  -0.363382D+01  0.299005D+01 -0.297407D+01  0.448608D+01  0.171402D+00
      4   0.642513D+01 -0.527713D+01 -0.670266D+01 -0.604541D+01  0.602057D+01
      5   0.304897D+01 -0.216322D+01 -0.732803D+01 -0.318961D+01  0.469255D+01
      6  -0.406506D+01  0.152462D+02  0.599736D+01  0.120653D+02 -0.302805D+01
                51            52            53            54            55 
      1  -0.157916D+01 -0.779040D+01 -0.401422D+01  0.419352D+01  0.143475D+00
      2   0.363206D+01  0.102104D+02  0.651095D+01 -0.510438D+01  0.379580D+00
      3  -0.205290D+01 -0.242005D+01 -0.249673D+01  0.910862D+00 -0.523055D+00
      4   0.841393D+01 -0.112100D+02  0.984666D+01  0.472638D+01  0.686231D-01
      5   0.490193D+01 -0.363969D+01  0.548249D+01  0.213577D+01 -0.199144D+01
      6  -0.590747D+01  0.700192D+01 -0.716895D+01 -0.458019D+01  0.364647D+01
                56            57            58            59            60 
      1   0.780427D+01  0.101162D+02  0.107102D+02  0.118045D+02  0.259504D+01
      2  -0.168981D+02 -0.145334D+02 -0.155104D+02 -0.241468D+02 -0.864835D+01
      3   0.909380D+01  0.441718D+01  0.480021D+01  0.123423D+02  0.605330D+01
      4  -0.570212D+01  0.309612D+01 -0.218308D+01 -0.111434D+02 -0.918563D+01
      5  -0.117541D+01 -0.284654D+01 -0.238346D+01 -0.375226D+01  0.204620D+01
      6  -0.157170D+02  0.953251D+01 -0.106872D+02 -0.768694D+01 -0.898188D+00
                61            62            63            64            65 
      1   0.105237D+02  0.543878D+01  0.238035D+01 -0.238279D+02 -0.216334D+02
      2  -0.142234D+02 -0.135336D+02 -0.310250D+01  0.195907D+02  0.120905D+02
      3   0.369969D+01  0.809478D+01  0.722144D+00  0.423728D+01  0.954290D+01
      4   0.528488D+01 -0.127885D+02  0.561408D+01 -0.215041D+02  0.303431D+01
      5  -0.326026D+01  0.189005D+01 -0.399228D+01 -0.725897D+01 -0.103948D+02
      6   0.940544D+01 -0.572458D+01  0.487795D+01 -0.291914D+01  0.381954D+01
                66            67            68            69            70 
      1  -0.883220D+01 -0.288523D+02  0.438439D+01 -0.151896D+02 -0.846595D+01
      2   0.737565D+01  0.162817D+02 -0.499577D+01  0.113352D+02  0.592794D+01
      3   0.145655D+01  0.125706D+02  0.611385D+00  0.385440D+01  0.253801D+01
      4  -0.783942D+01 -0.172490D+01  0.985758D+01 -0.502279D+01 -0.978816D+01
      5  -0.784318D+01 -0.133807D+02 -0.781483D+01  0.208199D+02 -0.123900D+02
      6   0.167296D+01  0.176339D+01  0.710422D+01 -0.143896D+02  0.779213D+01
                71            72            73            74            75 
      1  -0.149927D+02  0.425011D+00  0.202766D+01  0.222030D+01 -0.333967D+01
      2   0.115339D+02 -0.667151D+01 -0.357789D+01 -0.200162D+01  0.748049D+00
      3   0.345885D+01  0.624650D+01  0.155023D+01 -0.218677D+00  0.259162D+01
      4  -0.424951D+01  0.211921D+02  0.241721D+01  0.155856D+01 -0.842357D+00
      5   0.214491D+02  0.112390D+02 -0.310272D+01 -0.342163D+00  0.450365D+01
      6  -0.155978D+02 -0.306429D+01 -0.108157D+01  0.323860D+00 -0.108022D+01
                76            77            78            79            80 
      1   0.637093D+00 -0.170211D+01 -0.180167D+01 -0.215565D+01  0.606275D+00
      2   0.819126D+00 -0.126425D+01 -0.603609D+01  0.553421D+01 -0.421043D+01
      3  -0.145622D+01  0.296636D+01  0.783776D+01 -0.337856D+01  0.360415D+01
      4   0.249491D+01 -0.202262D+01 -0.191492D+01 -0.192751D+01 -0.286205D+01
      5   0.194193D+01 -0.188812D+01 -0.597103D+01  0.930821D+01 -0.138447D+01
      6  -0.814294D+00  0.180611D+01  0.374265D+01  0.121876D+01  0.526786D+01
                81            82            83            84            85 
      1  -0.160250D+02  0.411922D+02  0.108017D+02 -0.334579D+01  0.916615D+01
      2  -0.225829D+02 -0.168428D+02 -0.932853D+00  0.314165D+01 -0.592273D-02
      3   0.386079D+02 -0.243494D+02 -0.986886D+01  0.204144D+00 -0.916023D+01
      4   0.240353D+00  0.333078D+02  0.205327D+02 -0.557223D+01  0.180952D+02
      5  -0.215714D+02 -0.164458D+02 -0.773453D+01  0.950417D+01 -0.537430D+01
      6  -0.904989D+01 -0.797491D+01 -0.611789D+01  0.485623D+01 -0.405008D+01
                86            87            88            89            90 
      1   0.428167D+01 -0.133716D+01  0.405289D+01  0.823010D-01  0.219443D+01
      2   0.405823D+01  0.251852D+00 -0.132812D+00  0.835655D+00 -0.388097D+01
      3  -0.833990D+01  0.108531D+01 -0.392008D+01 -0.917956D+00  0.168654D+01
      4   0.141602D+02 -0.242516D+01  0.156215D+01  0.239682D+01  0.327948D+01
      5  -0.288710D+01  0.270421D+01  0.625344D+01  0.167628D+01 -0.309336D+01
      6  -0.383746D+01  0.314706D+01  0.291179D+01  0.161021D+01 -0.917024D+00
                91            92            93            94            95 
      1  -0.175046D+02  0.809997D+01  0.166721D+02  0.149296D+02 -0.117578D+02
      2   0.118013D+02 -0.149491D+02 -0.603375D+01 -0.235179D+02 -0.404595D+01
      3   0.570328D+01  0.684915D+01 -0.106384D+02  0.858839D+01  0.158037D+02
      4   0.862730D+01 -0.938434D+01 -0.118850D+02 -0.124380D+02 -0.163970D+02
      5   0.146332D+02 -0.170733D+02  0.420874D+01 -0.245541D+02 -0.171854D+01
      6  -0.715482D+01  0.410996D+00  0.125731D+02 -0.767329D+00  0.551917D+00
                96            97            98            99           100 
      1  -0.169699D+02  0.143160D+02 -0.139362D+02  0.179425D+02 -0.148201D+02
      2   0.799059D+01 -0.519604D+01  0.300715D+01 -0.445605D+01  0.720920D+00
      3   0.897927D+01 -0.911993D+01  0.109291D+02 -0.134864D+02  0.140992D+02
      4  -0.848901D+01 -0.159046D+02 -0.101016D+02  0.663919D+01  0.121587D+02
      5   0.118291D+02  0.867435D+01  0.568716D+01 -0.457790D+00 -0.214177D+00
      6   0.357381D+01  0.123602D+02  0.201134D+01  0.177989D+01 -0.499900D+00
               101           102           103           104           105 
      1   0.126756D+02 -0.366925D+01  0.156337D+02 -0.175356D+02 -0.153403D+02
      2   0.201976D+01 -0.477560D+01 -0.440974D+00  0.105852D+02  0.545679D+01
      3  -0.146954D+02  0.844484D+01 -0.151927D+02  0.695039D+01  0.988351D+01
      4  -0.197800D+02 -0.112341D+02 -0.255096D+02 -0.286177D+01 -0.822972D+01
      5  -0.889668D+01  0.119375D+02 -0.117825D+02 -0.129472D+02 -0.383532D+01
      6  -0.623195D+01 -0.618346D+01 -0.996600D+01 -0.419471D+01 -0.565082D+01
               106           107           108           109           110 
      1   0.621443D+00 -0.177920D+02  0.181344D+02 -0.234558D+00  0.291345D+01
      2  -0.619669D+01  0.745688D+01 -0.691133D+01 -0.371929D+01  0.480549D+01
      3   0.557525D+01  0.103351D+02 -0.112231D+02  0.395385D+01 -0.771894D+01
      4  -0.164850D+02 -0.383423D+01 -0.237914D+01 -0.760037D+01 -0.543554D+01
      5   0.153185D+02 -0.545271D+01  0.308147D+01 -0.400218D+01 -0.131531D+02
      6  -0.896469D+01 -0.319929D+01  0.808421D+00 -0.787462D+01 -0.106667D+02
               111           112           113           114           115 
      1   0.440176D+01  0.620336D+00  0.322454D+00 -0.946039D+01  0.490325D+01
      2  -0.517181D+01  0.550395D+01  0.268995D+01 -0.576240D+01 -0.578493D+01
      3   0.770043D+00 -0.612428D+01 -0.301240D+01  0.152228D+02  0.881680D+00
      4  -0.839779D+01 -0.800587D+01 -0.316511D+01 -0.685741D+01 -0.732552D+01
      5  -0.258835D+01 -0.133121D+02 -0.868863D+01 -0.533102D+01 -0.458845D+01
      6  -0.114885D+02 -0.957472D+01 -0.491311D+01 -0.539280D+01 -0.773912D+01
               116           117           118           119           120 
      1  -0.949975D+01 -0.312647D+01  0.392038D+01  0.277722D+01  0.187163D+01
      2  -0.523407D+01  0.505529D+01 -0.167944D+01 -0.526995D+01  0.122405D+00
      3   0.147338D+02 -0.192882D+01 -0.224095D+01  0.249273D+01 -0.199403D+01
      4  -0.556448D+01  0.296831D+01 -0.150069D+02  0.131452D+02  0.932737D+01
      5  -0.189973D+01 -0.241321D+01 -0.116384D+02  0.744008D+01  0.109008D+02
      6  -0.318062D+01  0.611001D+01  0.100304D+02 -0.975150D+01 -0.956340D+01
               121           122           123           124           125 
      1   0.368477D+01 -0.974349D+01 -0.587187D+01  0.224386D+01 -0.624745D+01
      2  -0.565492D+01  0.138079D+02  0.435785D+01 -0.423934D+00  0.354369D+01
      3   0.197015D+01 -0.406437D+01  0.151402D+01 -0.181993D+01  0.270376D+01
      4   0.111588D+02 -0.133113D+02 -0.784048D+01  0.846987D+01 -0.829014D+01
      5   0.613415D+01 -0.704338D+01 -0.598461D+01  0.971487D+01 -0.684347D+01
      6  -0.912118D+01  0.146227D+02  0.128711D+02 -0.935416D+01  0.137321D+02
               126           127           128           129           130 
      1  -0.835533D+01 -0.186386D+01 -0.755609D+01 -0.122445D+01 -0.507093D+01
      2  -0.289417D+00  0.827109D+01  0.183776D+02  0.308937D+01  0.123066D+02
      3   0.864474D+01 -0.640722D+01 -0.108215D+02 -0.186492D+01 -0.723565D+01
      4  -0.897665D+01  0.915922D+01  0.152600D+02  0.141127D+01  0.115772D+02
      5  -0.997658D+01  0.597335D+00  0.776442D+00  0.299207D+01  0.598506D-01
      6   0.156806D+02  0.949703D+00  0.276098D+01  0.197826D+01  0.226340D+01
               131           132           133           134           135 
      1  -0.325915D+02 -0.408407D+01 -0.222334D+01 -0.101352D+02 -0.562745D+01
      2   0.628713D+02  0.801560D+01  0.455635D+01  0.188704D+02  0.779267D+01
      3  -0.302798D+02 -0.393153D+01 -0.233301D+01 -0.873520D+01 -0.216521D+01
      4   0.182278D+02  0.311904D+01  0.344217D+01  0.623359D+01  0.262856D+01
      5   0.247417D+01  0.133039D+01  0.248225D+01  0.221606D+01  0.166101D+01
      6   0.718893D+01  0.883885D+01  0.164589D+01  0.113517D+02  0.611338D+01
               136           137           138           139           140 
      1  -0.143271D+00  0.643771D+01 -0.487766D+01  0.244266D+01 -0.974036D+01
      2   0.124475D+01 -0.886957D+01  0.470697D+01 -0.372758D+01  0.145722D+02
      3  -0.110148D+01  0.243186D+01  0.170693D+00  0.128492D+01 -0.483187D+01
      4  -0.105983D+02  0.842080D+01 -0.680825D+01  0.615841D+01 -0.489395D+01
      5   0.688469D+01 -0.305223D+01  0.568330D+01 -0.175895D+01  0.366416D+01
      6  -0.827898D+01  0.981360D+01 -0.105104D+02  0.645017D+01 -0.948296D+01
               141           142           143           144           145 
      1   0.546344D+01 -0.446603D+01  0.981914D+01 -0.105901D+02  0.170771D+01
      2  -0.522945D+01  0.308154D+01 -0.913230D+01  0.354427D+01 -0.527910D+00
      3  -0.233991D+00  0.138449D+01 -0.686844D+00  0.704587D+01 -0.117980D+01
      4   0.491151D+01 -0.781742D+01  0.616713D+01 -0.681894D+01 -0.505681D+00
      5  -0.236448D+01  0.717792D+01 -0.313501D+01  0.535664D+01  0.264478D+01
      6   0.991616D+01 -0.936981D+01  0.154164D+02 -0.199979D+02 -0.211948D+01
               146           147           148           149           150 
      1  -0.264767D+01  0.463263D+01 -0.350261D+01 -0.106348D+02  0.782003D+01
      2   0.172361D+01 -0.233087D+01 -0.114039D+01  0.199731D+02 -0.826314D+01
      3   0.924067D+00 -0.230176D+01  0.464300D+01 -0.933830D+01  0.443114D+00
      4   0.300232D+01 -0.166326D+01  0.121209D+02 -0.258941D+02  0.120047D+02
      5  -0.658821D+00  0.200735D+01 -0.381732D+01  0.131588D+02 -0.144745D+02
      6  -0.127109D+01  0.939666D+00  0.295637D+01 -0.156801D+02  0.140927D+02
               151           152           153           154           155 
      1   0.713687D+01  0.799858D+01 -0.716427D+01  0.632786D+02  0.115689D+02
      2  -0.306088D+01 -0.941534D+01  0.332045D+01 -0.369797D+02 -0.813249D+01
      3  -0.407599D+01  0.141676D+01  0.384383D+01 -0.262990D+02 -0.343646D+01
      4  -0.733258D+01  0.156838D+02 -0.128618D+02  0.336157D+01  0.971624D+01
      5   0.833898D+01 -0.144514D+02  0.144307D+02  0.145775D+02  0.306343D+01
      6  -0.401527D+01  0.151339D+02 -0.138334D+02 -0.892113D+00  0.475339D+00
               156           157           158           159           160 
      1   0.989720D+01  0.301738D+02  0.874331D+01  0.524655D+01  0.137791D+02
      2  -0.731943D+01 -0.179096D+02 -0.502692D+01 -0.457649D+01 -0.965969D+01
      3  -0.257777D+01 -0.122643D+02 -0.371639D+01 -0.670066D+00 -0.411939D+01
      4   0.117517D+01  0.884229D+01  0.100152D+02  0.278069D+01  0.130047D+01
      5   0.122208D+02  0.767438D+01  0.395148D+01  0.525617D+01  0.136114D+02
      6  -0.148146D+01  0.408228D+00  0.492688D+00  0.195628D+01 -0.134237D+01
               161           162           163           164           165 
      1   0.353382D+01  0.722033D+01  0.107863D+02 -0.194836D+01 -0.473959D+01
      2  -0.338608D+01 -0.552961D+01 -0.552405D+01 -0.767937D+00  0.147991D+01
      3  -0.147747D+00 -0.169071D+01 -0.526225D+01  0.271630D+01  0.325968D+01
      4   0.369371D+01 -0.861960D+00 -0.576185D+01  0.657736D+01  0.674543D+01
      5   0.375269D+00  0.617812D+01 -0.671108D+01  0.572708D+01  0.941145D+01
      6   0.323814D+01  0.213651D-01  0.394621D+01 -0.266524D+01 -0.338517D+01
               166           167           168           169           170 
      1  -0.305494D+01 -0.231021D+00  0.196807D+01 -0.133181D+02  0.330878D+01
      2  -0.162019D+01  0.633083D+01  0.143819D+01  0.610689D+01  0.190699D+01
      3   0.467513D+01 -0.609981D+01 -0.340626D+01  0.721120D+01 -0.521578D+01
      4   0.118168D+02 -0.153961D+02 -0.854870D+01  0.147930D+02 -0.149478D+02
      5   0.705800D+01 -0.760685D+01 -0.125115D+02  0.162859D+02 -0.141905D+02
      6  -0.402903D+01  0.614009D+01  0.101426D+02 -0.738981D+01  0.110837D+02
               171           172           173           174           175 
      1   0.159829D+01 -0.508000D+01  0.218189D+01 -0.110693D+02  0.668414D+00
      2  -0.346316D+01 -0.148442D+00 -0.394251D+00 -0.285319D+00  0.120052D+01
      3   0.186487D+01  0.522844D+01 -0.178764D+01  0.113546D+02 -0.186894D+01
      4  -0.144603D+02 -0.294967D+01 -0.527487D+00  0.773139D+00  0.275781D+01
      5  -0.282509D+02  0.172657D+01  0.285943D+01 -0.274544D+01  0.135902D+01
      6   0.152918D+02 -0.106631D+01  0.420343D+01 -0.640320D+01  0.150743D+01
               176           177           178           179           180 
      1  -0.430679D+01  0.760894D+01 -0.103671D+02  0.753435D+01 -0.235605D+02
      2   0.230137D+01 -0.181517D+01  0.254560D+01 -0.135766D+01 -0.829666D+01
      3   0.200542D+01 -0.579377D+01  0.782154D+01 -0.617669D+01  0.318571D+02
      4   0.335047D+01 -0.190406D+01 -0.179914D+01 -0.310302D+01  0.247006D+01
      5  -0.228319D+01  0.199428D+01  0.454164D+01  0.403671D+01 -0.164449D+02
      6  -0.552758D+01  0.822785D+01 -0.251185D+01  0.929086D+01 -0.150540D+02
               181           182           183           184           185 
      1   0.117729D+02  0.572356D+01 -0.387125D+00  0.925178D+01  0.186413D+01
      2  -0.180551D+01  0.394786D+01  0.102832D+01  0.486381D+01  0.195682D+02
      3  -0.996744D+01 -0.967142D+01 -0.641191D+00 -0.141156D+02 -0.214323D+02
      4   0.122805D+02  0.156696D+02  0.216925D+01  0.223753D+02  0.338800D+02
      5  -0.293860D+01  0.183207D+00  0.319592D+01 -0.188583D+01 -0.190130D+01
      6  -0.109405D+01 -0.302017D+01  0.135215D+00 -0.445966D+01 -0.898157D+01
               186           187           188           189           190 
      1   0.287779D+01  0.462693D+01  0.324252D+01 -0.992243D+00  0.460071D+02
      2   0.180006D+01  0.431318D-01  0.371019D+01  0.168489D+01 -0.308344D+02
      3  -0.467784D+01 -0.467006D+01 -0.695271D+01 -0.692643D+00 -0.151727D+02
      4   0.104590D+01  0.799204D+01  0.879943D+01  0.313138D+01 -0.529214D+01
      5   0.626290D+01  0.167184D+01  0.282904D+01  0.365730D+01 -0.290558D+02
      6   0.503450D+01  0.401658D-01  0.217088D+01  0.155228D+01  0.307972D+01
               191           192           193           194           195 
      1  -0.984672D+01 -0.126116D+02 -0.219793D+02  0.864352D+01  0.637570D+01
      2   0.842909D+01  0.123547D+02  0.165222D+02 -0.431956D+01 -0.763394D+01
      3   0.141762D+01  0.256963D+00  0.545705D+01 -0.432396D+01  0.125823D+01
      4   0.102025D+02  0.225802D+01  0.104900D+02 -0.806605D+01 -0.271717D+01
      5   0.671273D+01  0.176692D+02  0.168901D+02 -0.649213D+01 -0.124907D+02
      6  -0.463834D+01 -0.137199D+01 -0.430456D+01  0.495755D+01  0.240754D+01
               196           197           198           199           200 
      1  -0.880956D+01  0.273454D+01  0.404117D+01 -0.530714D+01 -0.507390D+01
      2   0.967127D+01 -0.271177D+01 -0.797812D+01  0.215167D+01  0.152506D+01
      3  -0.861707D+00 -0.227734D-01  0.393695D+01  0.315547D+01  0.354884D+01
      4   0.276389D+01 -0.139596D+01 -0.249051D+01 -0.687029D+00  0.107333D+01
      5   0.143118D+02 -0.447771D+01 -0.119141D+02 -0.254320D+01  0.600602D+00
      6  -0.219099D+01  0.250710D+01  0.487048D+00 -0.181586D+01 -0.216343D+01
               201           202           203           204           205 
      1   0.819083D+01 -0.626947D+01 -0.423598D+01  0.756493D+01  0.796036D+01
      2   0.241589D+01  0.298405D+01  0.133872D+01  0.662123D+00 -0.189076D+01
      3  -0.106067D+02  0.328542D+01  0.289726D+01 -0.822705D+01 -0.606960D+01
      4   0.171465D+01  0.402364D+01 -0.340517D+01  0.439513D+01  0.555309D+00
      5  -0.347974D+01 -0.137884D+01  0.404845D+01 -0.529720D+01  0.389121D+01
      6   0.261036D+01 -0.406237D+00 -0.502553D+01  0.752746D+01  0.229940D+01
               206           207           208           209           210 
      1   0.871313D+01 -0.204219D+02  0.416481D+02 -0.155227D+02  0.334027D+00
      2  -0.100897D+01 -0.884479D+01 -0.172464D+02  0.323825D+01 -0.166376D+01
      3  -0.770416D+01  0.292667D+02 -0.244017D+02  0.122844D+02  0.132973D+01
      4   0.479628D+01 -0.490410D+01 -0.237021D+02  0.191139D+02 -0.291942D-01
      5  -0.416137D+01  0.155968D+02  0.965528D+01 -0.312659D+01  0.750671D+01
      6   0.806446D+01 -0.967837D+01 -0.506670D+01  0.508182D+01 -0.138395D+01
               211           212           213           214           215 
      1  -0.228184D+02  0.119744D+02  0.145229D+01 -0.101894D+02  0.470073D+01
      2   0.632390D+01  0.648432D+00  0.146156D+01  0.368906D+01 -0.131619D+00
      3   0.164945D+02 -0.126229D+02 -0.291384D+01  0.650029D+01 -0.456911D+01
      4   0.239429D+02 -0.205287D+02  0.168289D+01  0.613263D+01 -0.433631D+01
      5  -0.542909D+01  0.476278D+01 -0.619482D+01  0.387000D+01 -0.254885D+01
      6   0.584526D+01 -0.460900D+01  0.380870D+01 -0.536424D+00  0.179633D+01
               216           217           218           219           220 
      1   0.177377D+01  0.170657D+02  0.615926D+01  0.551821D+01  0.138744D+02
      2  -0.899592D+00 -0.970207D+01 -0.468849D+01 -0.491960D+01 -0.909854D+01
      3  -0.874181D+00 -0.736359D+01 -0.147076D+01 -0.598609D+00 -0.477581D+01
      4  -0.361877D+01  0.934623D+01  0.126509D+02  0.567575D+01  0.175516D+02
      5  -0.251363D+01  0.121263D+02  0.774410D+01  0.869607D+01  0.152066D+02
      6   0.139989D+00  0.463113D+01  0.539587D+01  0.401022D+01  0.828444D+01
               221           222           223           224           225 
      1   0.713313D+01  0.409648D+01  0.450304D+01  0.267607D+01 -0.239863D+00
      2  -0.230143D+01 -0.641866D+01 -0.526329D+01 -0.373828D+01 -0.517311D+01
      3  -0.483170D+01  0.232218D+01  0.760249D+00  0.106221D+01  0.541297D+01
      4   0.208250D+02  0.898932D+01  0.612414D+01  0.614426D+01  0.642580D+01
      5   0.113775D+02  0.146210D+02  0.935075D+01  0.794457D+01  0.109604D+02
      6   0.121982D+02  0.838253D+01  0.478584D+01  0.655789D+01  0.496691D+01
               226           227           228           229           230 
      1  -0.623562D+00 -0.303506D+00  0.201856D+01 -0.976677D+00 -0.447198D+01
      2  -0.212970D+01 -0.148215D+01  0.217995D+01 -0.220674D-01 -0.306096D+01
      3   0.275326D+01  0.178565D+01 -0.419851D+01  0.998745D+00  0.753294D+01
      4   0.630737D+00  0.204176D+01  0.319079D+00  0.295686D+01 -0.228182D+01
      5  -0.135587D+01 -0.102461D+01  0.478014D+01 -0.273170D+01  0.268171D+01
      6  -0.113568D+01  0.248007D-02  0.794112D+00  0.333622D+00 -0.807220D+01
               231           232           233           234           235 
      1   0.850165D+01  0.912064D+00  0.557011D+01 -0.163221D+02  0.846015D+01
      2   0.782620D+01  0.572458D+00  0.532693D+01 -0.172892D+02 -0.606166D+01
      3  -0.163278D+02 -0.148452D+01 -0.108970D+02  0.336113D+02 -0.239850D+01
      4   0.295139D+01 -0.682716D-01  0.175556D+01 -0.200996D+01  0.138715D+02
      5  -0.405463D+01  0.628814D+01 -0.101626D+01  0.610135D+01  0.178319D+02
      6   0.989336D+01  0.162351D+01  0.843591D+01 -0.689262D+01  0.103326D+02
               236           237           238           239           240 
      1   0.616855D+00 -0.214467D+00  0.388552D+00 -0.530766D+01 -0.356426D+01
      2  -0.788220D+00 -0.504152D+01 -0.157498D+00  0.579511D+01 -0.783384D-01
      3   0.171365D+00  0.525599D+01 -0.231054D+00 -0.487441D+00  0.364260D+01
      4   0.119813D+02  0.841942D+01  0.122543D+02  0.132572D+02  0.833907D+01
      5   0.109213D+02  0.150758D+02  0.117314D+02  0.101423D+02  0.100615D+02
      6   0.957621D+01  0.983016D+01  0.102458D+02  0.145706D+02  0.128254D+02
               241           242           243 
      1  -0.154012D+01 -0.264966D+01 -0.477735D+01
      2  -0.294897D+01  0.674163D-02 -0.505824D+01
      3   0.448909D+01  0.264292D+01  0.983560D+01
      4   0.565179D+01  0.508136D+01  0.589673D+01
      5   0.102012D+02  0.678800D+01  0.114386D+02
      6   0.734137D+01  0.904481D+01  0.955140D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:59:03 2021, MaxMem=  5637144576 cpu:           72287.4 elap:            9109.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90647 -10.11193 -10.05279 -10.05149 -10.04408
 Alpha  occ. eigenvalues --  -10.03999 -10.03638 -10.03478 -10.02792 -10.02527
 Alpha  occ. eigenvalues --  -10.02188  -1.12209  -0.98299  -0.89361  -0.84552
 Alpha  occ. eigenvalues --   -0.81665  -0.78104  -0.76625  -0.73922  -0.67490
 Alpha  occ. eigenvalues --   -0.65164  -0.60286  -0.58235  -0.57750  -0.55533
 Alpha  occ. eigenvalues --   -0.53938  -0.52560  -0.51181  -0.49726  -0.49248
 Alpha  occ. eigenvalues --   -0.47820  -0.47100  -0.46414  -0.45198  -0.44614
 Alpha  occ. eigenvalues --   -0.43932  -0.43772  -0.42486  -0.41101  -0.39898
 Alpha  occ. eigenvalues --   -0.39333  -0.31877
 Alpha virt. eigenvalues --    0.02788   0.03548   0.03799   0.04006   0.05365
 Alpha virt. eigenvalues --    0.05475   0.05548   0.05761   0.06016   0.06366
 Alpha virt. eigenvalues --    0.07781   0.07991   0.08294   0.08487   0.08858
 Alpha virt. eigenvalues --    0.09519   0.10718   0.11172   0.12084   0.12198
 Alpha virt. eigenvalues --    0.12661   0.12934   0.13446   0.13725   0.14161
 Alpha virt. eigenvalues --    0.14522   0.14728   0.14852   0.15636   0.16131
 Alpha virt. eigenvalues --    0.16458   0.16924   0.17204   0.17539   0.17715
 Alpha virt. eigenvalues --    0.18299   0.18496   0.19068   0.19574   0.19769
 Alpha virt. eigenvalues --    0.20620   0.20923   0.21622   0.21822   0.22219
 Alpha virt. eigenvalues --    0.22496   0.22854   0.23262   0.23312   0.23783
 Alpha virt. eigenvalues --    0.23903   0.24260   0.25459   0.25781   0.26099
 Alpha virt. eigenvalues --    0.26251   0.26833   0.27162   0.27886   0.29005
 Alpha virt. eigenvalues --    0.29068   0.29362   0.30623   0.30958   0.31140
 Alpha virt. eigenvalues --    0.32136   0.33011   0.33685   0.33766   0.34242
 Alpha virt. eigenvalues --    0.34468   0.35275   0.35854   0.36347   0.36815
 Alpha virt. eigenvalues --    0.38108   0.38231   0.38370   0.39305   0.39661
 Alpha virt. eigenvalues --    0.40186   0.41020   0.41390   0.41724   0.42503
 Alpha virt. eigenvalues --    0.43008   0.43386   0.43919   0.44615   0.45074
 Alpha virt. eigenvalues --    0.45533   0.45759   0.46040   0.46431   0.46761
 Alpha virt. eigenvalues --    0.47390   0.47879   0.48177   0.49091   0.49397
 Alpha virt. eigenvalues --    0.49673   0.50000   0.50569   0.51271   0.52331
 Alpha virt. eigenvalues --    0.52982   0.53542   0.54889   0.55636   0.55758
 Alpha virt. eigenvalues --    0.56387   0.56791   0.57472   0.58037   0.58602
 Alpha virt. eigenvalues --    0.59818   0.60178   0.60691   0.60994   0.61380
 Alpha virt. eigenvalues --    0.61699   0.62230   0.62379   0.63310   0.63445
 Alpha virt. eigenvalues --    0.63874   0.64385   0.65143   0.65841   0.66469
 Alpha virt. eigenvalues --    0.66981   0.67782   0.68394   0.68618   0.69095
 Alpha virt. eigenvalues --    0.70293   0.70469   0.71397   0.71448   0.72208
 Alpha virt. eigenvalues --    0.72464   0.72946   0.73449   0.73891   0.74435
 Alpha virt. eigenvalues --    0.75005   0.75351   0.75767   0.77023   0.77762
 Alpha virt. eigenvalues --    0.78080   0.79060   0.79149   0.79638   0.80514
 Alpha virt. eigenvalues --    0.80949   0.81703   0.82016   0.82727   0.82958
 Alpha virt. eigenvalues --    0.83844   0.84881   0.85711   0.85903   0.86760
 Alpha virt. eigenvalues --    0.87155   0.88246   0.88417   0.89470   0.90103
 Alpha virt. eigenvalues --    0.90295   0.91965   0.93113   0.93785   0.94016
 Alpha virt. eigenvalues --    0.94850   0.95904   0.96904   0.97483   0.98786
 Alpha virt. eigenvalues --    1.00575   1.00953   1.02560   1.03402   1.03533
 Alpha virt. eigenvalues --    1.04424   1.04834   1.06393   1.06943   1.07494
 Alpha virt. eigenvalues --    1.08928   1.11265   1.11805   1.13100   1.13534
 Alpha virt. eigenvalues --    1.15181   1.16306   1.17713   1.18329   1.20138
 Alpha virt. eigenvalues --    1.20191   1.21380   1.22799   1.23646   1.25632
 Alpha virt. eigenvalues --    1.27470   1.28079   1.29319   1.29994   1.31825
 Alpha virt. eigenvalues --    1.34876   1.35088   1.35988   1.37936   1.38815
 Alpha virt. eigenvalues --    1.40656   1.41959   1.44624   1.45109   1.45720
 Alpha virt. eigenvalues --    1.46834   1.48747   1.50790   1.51831   1.53026
 Alpha virt. eigenvalues --    1.55020   1.57235   1.58176   1.59058   1.59412
 Alpha virt. eigenvalues --    1.60889   1.62321   1.64043   1.65099   1.65636
 Alpha virt. eigenvalues --    1.66810   1.69086   1.69985   1.71225   1.71384
 Alpha virt. eigenvalues --    1.73203   1.74121   1.74824   1.75281   1.75866
 Alpha virt. eigenvalues --    1.77493   1.79091   1.79214   1.80133   1.82580
 Alpha virt. eigenvalues --    1.83042   1.84170   1.84351   1.85628   1.86415
 Alpha virt. eigenvalues --    1.89065   1.89558   1.90243   1.91101   1.92042
 Alpha virt. eigenvalues --    1.92540   1.93773   1.95957   1.96348   1.96967
 Alpha virt. eigenvalues --    1.98334   1.99887   2.00574   2.02031   2.03163
 Alpha virt. eigenvalues --    2.03541   2.05662   2.05947   2.07425   2.08887
 Alpha virt. eigenvalues --    2.09051   2.10063   2.11951   2.12649   2.14520
 Alpha virt. eigenvalues --    2.15294   2.18052   2.18539   2.20151   2.20366
 Alpha virt. eigenvalues --    2.21734   2.23391   2.24996   2.26837   2.27642
 Alpha virt. eigenvalues --    2.29389   2.29664   2.30725   2.33127   2.33418
 Alpha virt. eigenvalues --    2.33888   2.35406   2.37511   2.37796   2.39183
 Alpha virt. eigenvalues --    2.40560   2.42059   2.42623   2.42979   2.44379
 Alpha virt. eigenvalues --    2.45801   2.47367   2.49563   2.50325   2.52270
 Alpha virt. eigenvalues --    2.53795   2.54334   2.56302   2.57985   2.59124
 Alpha virt. eigenvalues --    2.60134   2.60785   2.62307   2.64228   2.65208
 Alpha virt. eigenvalues --    2.66667   2.68098   2.69271   2.70464   2.72442
 Alpha virt. eigenvalues --    2.73531   2.74940   2.77358   2.79492   2.80006
 Alpha virt. eigenvalues --    2.85566   2.88996   2.90049   2.91366   2.92813
 Alpha virt. eigenvalues --    2.94019   2.97687   2.99921   3.04822   3.06031
 Alpha virt. eigenvalues --    3.18462   3.20402   3.26155   3.31665   3.33841
 Alpha virt. eigenvalues --    3.45073   3.56723   3.60787   3.64761   3.75098
 Alpha virt. eigenvalues --    3.86960   4.06030   4.16635   4.54905   5.00006
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.468400  -0.468670  -2.526609   0.135781   0.839023   0.157643
     2  C   -0.468670   7.363322  -0.346525   0.099256   0.212093   0.697106
     3  C   -2.526609  -0.346525  13.051633  -0.837160  -3.290592  -1.573098
     4  O    0.135781   0.099256  -0.837160   8.967847   0.054104   0.039436
     5  C    0.839023   0.212093  -3.290592   0.054104  15.784206  -3.053102
     6  C    0.157643   0.697106  -1.573098   0.039436  -3.053102  17.206847
     7  C    0.682076  -1.546845  -0.038840  -0.005352   0.352763  -1.916248
     8  C   -0.396556  -0.257005  -0.206409  -0.089749  -0.105431   0.393052
     9  H   -0.009299  -0.600181  -0.264549   0.027135   0.102330  -0.130712
    10  H    0.148598  -0.431366   0.369219  -0.009297  -0.156702  -0.043674
    11  C   -0.200028  -0.042584   0.039147   0.044320  -0.765364  -0.746479
    12  C   -0.385039   0.035794   0.210298   0.144075  -2.162075   0.515789
    13  C   -0.861627  -0.561646   0.214482   0.015232   0.092980  -3.427870
    14  H   -0.315182  -0.003734   0.402799  -0.004370   0.247119  -3.127233
    15  H    0.047873   0.185943  -0.157904  -0.002675   0.289233   0.037797
    16  H   -0.347620   0.526896   0.271280  -0.004552  -0.354020  -0.034328
    17  H    0.175518   0.018741   0.119455   0.008453  -0.038204   0.096232
    18  H    0.164295   0.122621  -0.258254   0.016497   0.050880   0.028760
    19  H    0.127720  -0.141053   0.117080  -0.026863   0.039159  -0.151884
    20  H   -0.094291   0.068084  -0.092758   0.031788   0.630549  -0.101454
    21  H    0.025216   0.003251   0.086422  -0.001378  -0.304458   0.044383
    22  H    0.014430  -0.055388   0.024637  -0.009356   0.049730  -0.039156
    23  H   -0.208070   0.023307  -0.258711   0.066323  -0.098600  -0.013670
    24  H    0.162250  -0.088728  -0.001883  -0.010069   0.214542  -0.168225
    25  H   -0.104890   0.078099   0.383937  -0.054015   0.031464  -0.115686
    26  H    0.237161   0.119264  -0.118962  -0.013957  -0.186420   0.332568
    27  H   -0.083132  -0.127417   0.150123   0.003321   0.263315  -0.468900
               7          8          9         10         11         12
     1  C    0.682076  -0.396556  -0.009299   0.148598  -0.200028  -0.385039
     2  C   -1.546845  -0.257005  -0.600181  -0.431366  -0.042584   0.035794
     3  C   -0.038840  -0.206409  -0.264549   0.369219   0.039147   0.210298
     4  O   -0.005352  -0.089749   0.027135  -0.009297   0.044320   0.144075
     5  C    0.352763  -0.105431   0.102330  -0.156702  -0.765364  -2.162075
     6  C   -1.916248   0.393052  -0.130712  -0.043674  -0.746479   0.515789
     7  C    7.842133  -0.011490   0.223597   0.189148  -0.124546  -0.120920
     8  C   -0.011490   6.169533   0.120219  -0.305426  -0.002538  -0.109150
     9  H    0.223597   0.120219   2.941022  -0.914496   0.061990  -0.061317
    10  H    0.189148  -0.305426  -0.914496   2.870623  -0.030030   0.081431
    11  C   -0.124546  -0.002538   0.061990  -0.030030   6.011429  -0.413714
    12  C   -0.120920  -0.109150  -0.061317   0.081431  -0.413714   6.604486
    13  C    0.070041  -0.434797   0.183911  -0.082891   0.509463  -0.179325
    14  H    0.442429  -0.032887  -0.012534   0.021087   0.052100  -0.007511
    15  H   -0.297519   0.020572   0.207887  -0.445285  -0.004039  -0.051326
    16  H   -0.735312  -0.043178  -0.411619   0.244491   0.030435   0.012138
    17  H   -0.062343  -0.058691  -0.002989   0.018600  -0.017235  -0.001420
    18  H    0.011391  -0.149758   0.030702  -0.044635   0.004042   0.006494
    19  H    0.067347   0.310464  -0.028505  -0.009156   0.013990  -0.026699
    20  H   -0.022793  -0.000250   0.008103  -0.000037  -0.032631  -0.157057
    21  H   -0.050403  -0.009213   0.004306  -0.001434   0.167810   0.188346
    22  H    0.083908   0.008278  -0.001851  -0.002444   0.070170   0.005546
    23  H    0.076998  -0.058564  -0.046042   0.025787   0.013935   0.275433
    24  H    0.078209   0.015288   0.009027  -0.009406   0.022969  -0.183291
    25  H   -0.072487   0.004501  -0.005026   0.010264  -0.038546   0.135679
    26  H   -0.097194  -0.077530  -0.012591   0.041326  -0.086458   0.095331
    27  H    0.083290  -0.045279   0.031212  -0.063177   0.039602  -0.037493
              13         14         15         16         17         18
     1  C   -0.861627  -0.315182   0.047873  -0.347620   0.175518   0.164295
     2  C   -0.561646  -0.003734   0.185943   0.526896   0.018741   0.122621
     3  C    0.214482   0.402799  -0.157904   0.271280   0.119455  -0.258254
     4  O    0.015232  -0.004370  -0.002675  -0.004552   0.008453   0.016497
     5  C    0.092980   0.247119   0.289233  -0.354020  -0.038204   0.050880
     6  C   -3.427870  -3.127233   0.037797  -0.034328   0.096232   0.028760
     7  C    0.070041   0.442429  -0.297519  -0.735312  -0.062343   0.011391
     8  C   -0.434797  -0.032887   0.020572  -0.043178  -0.058691  -0.149758
     9  H    0.183911  -0.012534   0.207887  -0.411619  -0.002989   0.030702
    10  H   -0.082891   0.021087  -0.445285   0.244491   0.018600  -0.044635
    11  C    0.509463   0.052100  -0.004039   0.030435  -0.017235   0.004042
    12  C   -0.179325  -0.007511  -0.051326   0.012138  -0.001420   0.006494
    13  C    8.898063   0.527072   0.080213   0.149688  -0.090383   0.127837
    14  H    0.527072   3.706149  -0.120488   0.082277   0.002705  -0.001904
    15  H    0.080213  -0.120488   2.590456  -0.930953  -0.012108   0.011240
    16  H    0.149688   0.082277  -0.930953   2.976413   0.004309  -0.009224
    17  H   -0.090383   0.002705  -0.012108   0.004309   1.707806  -0.428012
    18  H    0.127837  -0.001904   0.011240  -0.009224  -0.428012   1.871164
    19  H   -0.011719  -0.004014   0.003696   0.001296  -0.310632  -0.388931
    20  H   -0.012298  -0.014461  -0.008670   0.007962   0.009450   0.001843
    21  H   -0.020437   0.020184   0.004599  -0.016710  -0.007441   0.000250
    22  H    0.059241  -0.014198  -0.000335   0.017560   0.002213  -0.000175
    23  H    0.144139   0.014949  -0.013154   0.083332  -0.005357  -0.000075
    24  H    0.045854  -0.010136   0.018866  -0.035253  -0.000039   0.000741
    25  H   -0.068939   0.014608  -0.012676   0.017074   0.004728  -0.000370
    26  H   -0.650251   0.000933   0.041206  -0.020496  -0.075193   0.045851
    27  H   -0.118243  -0.012064  -0.078153   0.053739   0.050732  -0.065318
              19         20         21         22         23         24
     1  C    0.127720  -0.094291   0.025216   0.014430  -0.208070   0.162250
     2  C   -0.141053   0.068084   0.003251  -0.055388   0.023307  -0.088728
     3  C    0.117080  -0.092758   0.086422   0.024637  -0.258711  -0.001883
     4  O   -0.026863   0.031788  -0.001378  -0.009356   0.066323  -0.010069
     5  C    0.039159   0.630549  -0.304458   0.049730  -0.098600   0.214542
     6  C   -0.151884  -0.101454   0.044383  -0.039156  -0.013670  -0.168225
     7  C    0.067347  -0.022793  -0.050403   0.083908   0.076998   0.078209
     8  C    0.310464  -0.000250  -0.009213   0.008278  -0.058564   0.015288
     9  H   -0.028505   0.008103   0.004306  -0.001851  -0.046042   0.009027
    10  H   -0.009156  -0.000037  -0.001434  -0.002444   0.025787  -0.009406
    11  C    0.013990  -0.032631   0.167810   0.070170   0.013935   0.022969
    12  C   -0.026699  -0.157057   0.188346   0.005546   0.275433  -0.183291
    13  C   -0.011719  -0.012298  -0.020437   0.059241   0.144139   0.045854
    14  H   -0.004014  -0.014461   0.020184  -0.014198   0.014949  -0.010136
    15  H    0.003696  -0.008670   0.004599  -0.000335  -0.013154   0.018866
    16  H    0.001296   0.007962  -0.016710   0.017560   0.083332  -0.035253
    17  H   -0.310632   0.009450  -0.007441   0.002213  -0.005357  -0.000039
    18  H   -0.388931   0.001843   0.000250  -0.000175  -0.000075   0.000741
    19  H    1.490247  -0.006719   0.002706   0.001540  -0.003385   0.001979
    20  H   -0.006719   2.100661  -0.460105  -0.472313  -0.056237   0.014764
    21  H    0.002706  -0.460105   1.861181  -0.467346   0.033776   0.021696
    22  H    0.001540  -0.472313  -0.467346   1.923557   0.031354  -0.054605
    23  H   -0.003385  -0.056237   0.033776   0.031354   2.250215  -0.531321
    24  H    0.001979   0.014764   0.021696  -0.054605  -0.531321   2.080164
    25  H   -0.003898   0.037456  -0.031950  -0.018241  -0.540784  -0.434715
    26  H    0.003648  -0.129006   0.025231   0.014731   0.032981  -0.001328
    27  H   -0.004693   0.049332  -0.008967   0.001745  -0.013714   0.003531
              25         26         27
     1  C   -0.104890   0.237161  -0.083132
     2  C    0.078099   0.119264  -0.127417
     3  C    0.383937  -0.118962   0.150123
     4  O   -0.054015  -0.013957   0.003321
     5  C    0.031464  -0.186420   0.263315
     6  C   -0.115686   0.332568  -0.468900
     7  C   -0.072487  -0.097194   0.083290
     8  C    0.004501  -0.077530  -0.045279
     9  H   -0.005026  -0.012591   0.031212
    10  H    0.010264   0.041326  -0.063177
    11  C   -0.038546  -0.086458   0.039602
    12  C    0.135679   0.095331  -0.037493
    13  C   -0.068939  -0.650251  -0.118243
    14  H    0.014608   0.000933  -0.012064
    15  H   -0.012676   0.041206  -0.078153
    16  H    0.017074  -0.020496   0.053739
    17  H    0.004728  -0.075193   0.050732
    18  H   -0.000370   0.045851  -0.065318
    19  H   -0.003898   0.003648  -0.004693
    20  H    0.037456  -0.129006   0.049332
    21  H   -0.031950   0.025231  -0.008967
    22  H   -0.018241   0.014731   0.001745
    23  H   -0.540784   0.032981  -0.013714
    24  H   -0.434715  -0.001328   0.003531
    25  H    1.920288  -0.015247   0.003770
    26  H   -0.015247   3.229119  -1.185717
    27  H    0.003770  -1.185717   3.068135
 Mulliken charges:
               1
     1  C   -1.384971
     2  C    1.117363
     3  C    0.531742
     4  O   -0.584774
     5  C   -2.738520
     6  C    1.562103
     7  C    0.898961
     8  C    1.351994
     9  H   -0.449729
    10  H   -0.471119
    11  C    1.422792
    12  C    1.585496
    13  C    1.402208
    14  H   -0.853695
    15  H   -0.404298
    16  H   -0.535625
    17  H   -0.108894
    18  H   -0.147952
    19  H   -0.062724
    20  H   -0.298912
    21  H   -0.109513
    22  H   -0.173231
    23  H   -0.224846
    24  H   -0.160881
    25  H   -0.124397
    26  H   -0.548998
    27  H   -0.489582
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.384971
     2  C    0.196515
     3  C    0.531742
     4  O   -0.584774
     5  C   -2.738520
     6  C    0.708409
     7  C   -0.040962
     8  C    1.032424
    11  C    0.841136
    12  C    1.075373
    13  C    0.363629
 Electronic spatial extent (au):  <R**2>=           1534.0065
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1350    Y=              2.6733    Z=              1.3170  Tot=              2.9832
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.4443   YY=            -74.6042   ZZ=            -69.0671
   XY=              0.2289   XZ=             -0.1236   YZ=             -3.3773
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.5942   YY=             -4.5657   ZZ=              0.9714
   XY=              0.2289   XZ=             -0.1236   YZ=             -3.3773
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.5826  YYY=              9.6882  ZZZ=             -2.7900  XYY=              0.9882
  XXY=             -0.6080  XXZ=             -0.5501  XZZ=              0.4069  YZZ=              0.4504
  YYZ=              8.2675  XYZ=              0.4036
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1032.0364 YYYY=           -682.3781 ZZZZ=           -433.1041 XXXY=              5.1697
 XXXZ=             -1.1405 YYYX=              4.1056 YYYZ=             -7.4129 ZZZX=             -0.6341
 ZZZY=             -0.0040 XXYY=           -274.2632 XXZZ=           -248.5516 YYZZ=           -186.2264
 XXYZ=              7.8661 YYXZ=              1.9616 ZZXY=             -2.4814
 N-N= 6.829977865711D+02 E-N=-2.446561569217D+03  KE= 4.621210941509D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:59:04 2021, MaxMem=  5637144576 cpu:               7.7 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2269    0.2274        0.1318    0.1312
 2     -0.2269   -0.2274       -0.3530   -0.3530       -5.2311   -5.2305
 3     -0.1318   -0.1312        9.8355    9.8356        0.3541    0.3530
 4      0.3530    0.3530       -0.0000    0.0000       -0.1329   -0.1312
 5     -4.6044   -4.6051        0.1329    0.1312        0.2265    0.2274
 6     -0.3541   -0.3530       -0.2265   -0.2274        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6823   -0.6823        0.3937    0.3937
 2      1.0591    1.0591       -0.0000    0.0000        0.3937    0.3937
 3      1.0591    1.0591       -0.6823   -0.6823       -0.0000    0.0000
 4     -0.6823   -0.6823       -1.0591   -1.0591      -15.6914  -15.6914
 5     -0.3937   -0.3937       29.5068   29.5068        1.0591    1.0591
 6    -13.8154  -13.8154        0.3937    0.3937        0.6823    0.6823
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0022    0.0000       -0.9017   -0.9097       -0.5889   -0.5249
 2      0.9500    0.9097        1.3987    1.4121       20.8524   20.9218
 3      0.5278    0.5249      -39.3632  -39.3423       -1.3901   -1.4121
 4     -1.3736   -1.4121       -0.0195    0.0000        0.4769    0.5249
 5     18.4054   18.4205       -0.5053   -0.5249       -0.8752   -0.9097
 6      1.4128    1.4121        0.9058    0.9097       -0.0011    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0731    0.0000        3.4316    3.4421       -0.6124   -0.6057
 2     -3.4474   -3.4421       -7.7843   -7.7601        3.5529    3.5471
 3      0.6691    0.6057       -8.0384   -7.9584        7.6872    7.7601
 4      7.8150    7.7601       -0.0016    0.0000        0.6682    0.6057
 5      4.5389    4.4113       -0.6088   -0.6057        3.4373    3.4421
 6     -7.7583   -7.7601       -3.4311   -3.4421       -0.0728    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.4483   15.4394        8.6344    8.6902       22.6640   22.7217
 2     23.6153   23.6455        9.9094    9.9667       22.7486   22.7217
 3     23.6630   23.6455        8.6788    8.6902       25.1868   25.1746
 4     -1.2691   -1.2765       -8.1687   -8.2061       -3.1449   -3.2367
 5      2.4346    2.4528        0.7326    0.8051        8.1152    8.2061
 6      2.5705    2.4316       -2.4597   -2.4528        1.1577    1.2765
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.1899                 0.4240                 0.0891
  Dep-P Fr= 1--      0.7445                 0.7337                 0.6609
  Dep-U Fr= 1--      0.8535                 0.8464                 0.7958
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0270                 0.0598                 0.0118
 AlphaG Fr= 1--     -0.0007                 0.0003                 0.0025
 Gamma2 Fr= 1--      0.1262                 0.1575                -0.0870
 Delta2 Fr= 1--      0.0282                 0.1212                -0.0699
 Raman1 Fr= 1--       0.760                  1.696                  0.356
 ROA1   Fr= 1--      13.013                 18.996                -10.593
 CID1   Fr= 1--      17.129                 11.200                -29.721
 Raman2 Fr= 1--       0.324                  0.718                  0.142
 ROA2   Fr= 1--       2.802                  2.809                 -1.530
 CID2   Fr= 1--       8.643                  3.914                -10.788
 Raman3 Fr= 1--       0.648                  1.435                  0.284
 ROA3   Fr= 1--      13.013                 18.996                -10.593
 CID3   Fr= 1--      20.069                 13.233                -37.345
 RC180  Fr= 1--       0.707                  0.693                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.7055                 0.2843                 0.1995
  Dep-P Fr= 1--      0.7490                 0.7495                 0.6301
  Dep-U Fr= 1--      0.8565                 0.8568                 0.7731
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.1007                 0.0406                 0.0257
 AlphaG Fr= 1--     -0.0002                 0.0001                 0.0009
 Gamma2 Fr= 1--     -0.0557                 0.1736                -0.0061
 Delta2 Fr= 1--     -0.1140                 0.0143                -0.0823
 Raman1 Fr= 1--       2.822                  1.137                  0.798
 ROA1   Fr= 1--      -8.999                 17.126                 -3.216
 CID1   Fr= 1--      -3.189                 15.061                 -4.029
 Raman2 Fr= 1--       1.209                  0.487                  0.309
 ROA2   Fr= 1--      -0.426                  4.053                  0.513
 CID2   Fr= 1--      -0.353                  8.321                  1.664
 Raman3 Fr= 1--       2.417                  0.974                  0.617
 ROA3   Fr= 1--      -8.999                 17.126                 -3.216
 CID3   Fr= 1--      -3.723                 17.578                 -5.212
 RC180  Fr= 1--       0.713                  0.714                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.4863                 0.9313                 0.6824
  Dep-P Fr= 1--      0.4282                 0.6217                 0.7380
  Dep-U Fr= 1--      0.5996                 0.7667                 0.8492
 Alpha2 Fr= 1--      0.0099                 0.0022                 0.0001
 Beta2  Fr= 1--      0.1485                 0.1190                 0.0966
 AlphaG Fr= 1--     -0.0011                 0.0019                 0.0001
 Gamma2 Fr= 1--      0.1432                 0.0662                -0.6976
 Delta2 Fr= 1--      0.0900                 0.1620                -0.0642
 Raman1 Fr= 1--       5.945                  3.725                  2.729
 ROA1   Fr= 1--      16.626                 11.545                -69.023
 CID1   Fr= 1--       2.797                  3.099                -25.288
 Raman2 Fr= 1--       1.782                  1.428                  1.159
 ROA2   Fr= 1--       2.716                  0.294                -16.228
 CID2   Fr= 1--       1.524                  0.206                -14.002
 Raman3 Fr= 1--       3.565                  2.856                  2.318
 ROA3   Fr= 1--      16.626                 11.545                -69.023
 CID3   Fr= 1--       4.664                  4.042                -29.777
 RC180  Fr= 1--       0.199                  0.533                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.2353                 1.0058                 1.5776
  Dep-P Fr= 1--      0.6253                 0.3031                 0.6739
  Dep-U Fr= 1--      0.7695                 0.4652                 0.8052
 Alpha2 Fr= 1--      0.0005                 0.0102                 0.0021
 Beta2  Fr= 1--      0.0302                 0.0780                 0.2117
 AlphaG Fr= 1--     -0.0021                 0.0345                 0.0074
 Gamma2 Fr= 1--      0.0474                 0.2310                 0.3096
 Delta2 Fr= 1--     -0.0208                 0.0444                 0.0993
 Raman1 Fr= 1--       0.941                  4.023                  6.310
 ROA1   Fr= 1--       3.885                 23.595                 32.903
 CID1   Fr= 1--       4.127                  5.865                  5.214
 Raman2 Fr= 1--       0.362                  0.936                  2.540
 ROA2   Fr= 1--       1.305                  5.188                  6.637
 CID2   Fr= 1--       3.602                  5.544                  2.613
 Raman3 Fr= 1--       0.724                  1.872                  5.081
 ROA3   Fr= 1--       3.885                 23.595                 32.903
 CID3   Fr= 1--       5.363                 12.607                  6.476
 RC180  Fr= 1--       0.539                 -0.070                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.5249                 1.0619                 1.3606
  Dep-P Fr= 1--      0.1999                 0.6161                 0.2418
  Dep-U Fr= 1--      0.3332                 0.7625                 0.3895
 Alpha2 Fr= 1--      0.0207                 0.0026                 0.0165
 Beta2  Fr= 1--      0.0847                 0.1349                 0.0883
 AlphaG Fr= 1--     -0.0306                 0.0058                 0.0352
 Gamma2 Fr= 1--     -0.3904                 0.0957                -0.1473
 Delta2 Fr= 1--     -0.1083                -0.0120                 0.0832
 Raman1 Fr= 1--       6.100                  4.248                  5.442
 ROA1   Fr= 1--     -40.947                  8.808                -11.481
 CID1   Fr= 1--      -6.713                  2.074                 -2.110
 Raman2 Fr= 1--       1.016                  1.619                  1.060
 ROA2   Fr= 1--      -8.503                  2.393                 -4.202
 CID2   Fr= 1--      -8.367                  1.478                 -3.965
 Raman3 Fr= 1--       2.033                  3.239                  2.120
 ROA3   Fr= 1--     -40.947                  8.808                -11.481
 CID3   Fr= 1--     -20.145                  2.720                 -5.417
 RC180  Fr= 1--      -0.334                  0.525                 -0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     12.6251                10.6141                 3.0938
  Dep-P Fr= 1--      0.0441                 0.0568                 0.3004
  Dep-U Fr= 1--      0.0845                 0.1075                 0.4620
 Alpha2 Fr= 1--      0.2529                 0.2063                 0.0317
 Beta2  Fr= 1--      0.1779                 0.1902                 0.2382
 AlphaG Fr= 1--     -0.0347                -0.0761                -0.0159
 Gamma2 Fr= 1--      0.0739                -0.4061                -0.3004
 Delta2 Fr= 1--     -0.0692                 0.0151                 0.5888
 Raman1 Fr= 1--      50.500                 42.456                 12.375
 ROA1   Fr= 1--       4.877                -38.504                -10.001
 CID1   Fr= 1--       0.097                 -0.907                 -0.808
 Raman2 Fr= 1--       2.134                  2.283                  2.858
 ROA2   Fr= 1--       2.326                 -9.867                -11.921
 CID2   Fr= 1--       1.090                 -4.322                 -4.170
 Raman3 Fr= 1--       4.269                  4.566                  5.717
 ROA3   Fr= 1--       4.877                -38.504                -10.001
 CID3   Fr= 1--       1.142                 -8.433                 -1.749
 RC180  Fr= 1--      -0.831                 -0.785                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      0.8654                 5.1016                 1.9338
  Dep-P Fr= 1--      0.7318                 0.0446                 0.2899
  Dep-U Fr= 1--      0.8451                 0.0854                 0.4495
 Alpha2 Fr= 1--      0.0003                 0.1021                 0.0204
 Beta2  Fr= 1--      0.1219                 0.0726                 0.1449
 AlphaG Fr= 1--      0.0008                -0.0781                 0.0290
 Gamma2 Fr= 1--      0.8849                -0.3165                -0.9895
 Delta2 Fr= 1--     -0.1745                 0.0226                -0.3987
 Raman1 Fr= 1--       3.462                 20.407                  7.735
 ROA1   Fr= 1--      79.367                -29.664               -107.748
 CID1   Fr= 1--      22.928                 -1.454                -13.929
 Raman2 Fr= 1--       1.463                  0.871                  1.738
 ROA2   Fr= 1--      22.634                 -7.778                -20.559
 CID2   Fr= 1--      15.473                 -8.931                -11.826
 Raman3 Fr= 1--       2.926                  1.742                  3.477
 ROA3   Fr= 1--      79.367                -29.664               -107.748
 CID3   Fr= 1--      27.129                -17.029                -30.990
 RC180  Fr= 1--       0.690                 -0.829                 -0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      0.7950                 4.4748                 2.3950
  Dep-P Fr= 1--      0.5896                 0.1043                 0.5910
  Dep-U Fr= 1--      0.7418                 0.1889                 0.7429
 Alpha2 Fr= 1--      0.0024                 0.0775                 0.0071
 Beta2  Fr= 1--      0.0983                 0.1409                 0.2965
 AlphaG Fr= 1--     -0.0172                -0.0327                 0.0260
 Gamma2 Fr= 1--      0.2624                -0.1786                 0.1009
 Delta2 Fr= 1--      0.1954                -0.1728                -0.1355
 Raman1 Fr= 1--       3.180                 17.899                  9.580
 ROA1   Fr= 1--      31.440                -22.678                  5.355
 CID1   Fr= 1--       9.887                 -1.267                  0.559
 Raman2 Fr= 1--       1.179                  1.691                  3.558
 ROA2   Fr= 1--       4.734                 -2.904                  3.506
 CID2   Fr= 1--       4.013                 -1.718                  0.985
 Raman3 Fr= 1--       2.359                  3.382                  7.117
 ROA3   Fr= 1--      31.440                -22.678                  5.355
 CID3   Fr= 1--      13.329                 -6.706                  0.752
 RC180  Fr= 1--       0.484                 -0.622                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--      8.7832                 2.3680                 3.3667
  Dep-P Fr= 1--      0.2525                 0.7215                 0.4922
  Dep-U Fr= 1--      0.4032                 0.8382                 0.6597
 Alpha2 Fr= 1--      0.1034                 0.0012                 0.0172
 Beta2  Fr= 1--      0.5902                 0.3308                 0.3702
 AlphaG Fr= 1--      0.0538                -0.0082                 0.0333
 Gamma2 Fr= 1--      0.1507                -0.2643                 0.3352
 Delta2 Fr= 1--     -0.0099                -0.8152                 0.0426
 Raman1 Fr= 1--      35.133                  9.472                 13.467
 ROA1   Fr= 1--      14.150                -51.455                 33.546
 CID1   Fr= 1--       0.403                 -5.432                  2.491
 Raman2 Fr= 1--       7.082                  3.970                  4.442
 ROA2   Fr= 1--       3.697                  0.179                  7.705
 CID2   Fr= 1--       0.522                  0.045                  1.735
 Raman3 Fr= 1--      14.165                  7.939                  8.884
 ROA3   Fr= 1--      14.150                -51.455                 33.546
 CID3   Fr= 1--       0.999                 -6.481                  3.776
 RC180  Fr= 1--      -0.194                  0.676                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      2.2310                 1.8659                 1.1550
  Dep-P Fr= 1--      0.2139                 0.7499                 0.7275
  Dep-U Fr= 1--      0.3524                 0.8571                 0.8423
 Alpha2 Fr= 1--      0.0292                 0.0000                 0.0004
 Beta2  Fr= 1--      0.1310                 0.2665                 0.1621
 AlphaG Fr= 1--     -0.0180                 0.0011                -0.0038
 Gamma2 Fr= 1--      0.6589                -0.3983                -1.0891
 Delta2 Fr= 1--      0.0966                -0.2040                -0.5089
 Raman1 Fr= 1--       8.924                  7.464                  4.620
 ROA1   Fr= 1--      66.344                -44.762               -120.838
 CID1   Fr= 1--       7.434                 -5.997                -26.154
 Raman2 Fr= 1--       1.573                  3.199                  1.946
 ROA2   Fr= 1--      15.040                 -7.927                -22.066
 CID2   Fr= 1--       9.564                 -2.478                -11.341
 Raman3 Fr= 1--       3.145                  6.397                  3.892
 ROA3   Fr= 1--      66.344                -44.762               -120.838
 CID3   Fr= 1--      21.095                 -6.997                -31.052
 RC180  Fr= 1--      -0.295                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      0.9885                 0.9804                 2.0851
  Dep-P Fr= 1--      0.7498                 0.5963                 0.7490
  Dep-U Fr= 1--      0.8570                 0.7471                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0028                 0.0000
 Beta2  Fr= 1--      0.1412                 0.1221                 0.2976
 AlphaG Fr= 1--      0.0007                 0.0095                 0.0003
 Gamma2 Fr= 1--      0.0098                 0.3067                 2.3652
 Delta2 Fr= 1--      0.0240                 0.3424                 0.4422
 Raman1 Fr= 1--       3.954                  3.922                  8.340
 ROA1   Fr= 1--       1.707                 40.401                241.204
 CID1   Fr= 1--       0.432                 10.302                 28.920
 Raman2 Fr= 1--       1.694                  1.465                  3.572
 ROA2   Fr= 1--       0.043                  4.621                 53.226
 CID2   Fr= 1--       0.025                  3.155                 14.902
 Raman3 Fr= 1--       3.388                  2.930                  7.144
 ROA3   Fr= 1--       1.707                 40.401                241.204
 CID3   Fr= 1--       0.504                 13.790                 33.765
 RC180  Fr= 1--       0.714                  0.494                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      4.3590                 4.1951                 2.7763
  Dep-P Fr= 1--      0.5812                 0.6791                 0.7490
  Dep-U Fr= 1--      0.7352                 0.8089                 0.8565
 Alpha2 Fr= 1--      0.0138                 0.0053                 0.0000
 Beta2  Fr= 1--      0.5341                 0.5655                 0.3963
 AlphaG Fr= 1--     -0.0234                -0.0459                -0.0013
 Gamma2 Fr= 1--     -1.7150                 0.8427                -0.9453
 Delta2 Fr= 1--     -0.3037                 0.8500                -0.7892
 Raman1 Fr= 1--      17.436                 16.780                 11.105
 ROA1   Fr= 1--    -174.355                108.101               -116.004
 CID1   Fr= 1--     -10.000                  6.442                -10.446
 Raman2 Fr= 1--       6.409                  6.786                  4.756
 ROA2   Fr= 1--     -38.730                 13.425                -16.373
 CID2   Fr= 1--      -6.043                  1.978                 -3.443
 Raman3 Fr= 1--      12.818                 13.573                  9.511
 ROA3   Fr= 1--    -174.355                108.101               -116.004
 CID3   Fr= 1--     -13.602                  7.964                -12.197
 RC180  Fr= 1--       0.470                  0.618                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      2.5451                 1.0943                 2.9101
  Dep-P Fr= 1--      0.7251                 0.7148                 0.7412
  Dep-U Fr= 1--      0.8407                 0.8337                 0.8513
 Alpha2 Fr= 1--      0.0011                 0.0007                 0.0004
 Beta2  Fr= 1--      0.3566                 0.1520                 0.4129
 AlphaG Fr= 1--     -0.0019                 0.0025                -0.0019
 Gamma2 Fr= 1--     -1.4312                 0.0879                 1.6660
 Delta2 Fr= 1--     -1.0986                -0.1963                 1.0124
 Raman1 Fr= 1--      10.180                  4.377                 11.640
 ROA1   Fr= 1--    -172.549                  2.162                192.336
 CID1   Fr= 1--     -16.949                  0.494                 16.523
 Raman2 Fr= 1--       4.279                  1.825                  4.955
 ROA2   Fr= 1--     -25.559                  3.681                 31.885
 CID2   Fr= 1--      -5.973                  2.017                  6.435
 Raman3 Fr= 1--       8.558                  3.649                  9.910
 ROA3   Fr= 1--    -172.549                  2.162                192.336
 CID3   Fr= 1--     -20.161                  0.592                 19.409
 RC180  Fr= 1--       0.681                  0.667                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      3.1535                 3.5921                 3.3636
  Dep-P Fr= 1--      0.7370                 0.7308                 0.7327
  Dep-U Fr= 1--      0.8486                 0.8445                 0.8457
 Alpha2 Fr= 1--      0.0007                 0.0012                 0.0010
 Beta2  Fr= 1--      0.4460                 0.5056                 0.4741
 AlphaG Fr= 1--     -0.0008                 0.0035                -0.0077
 Gamma2 Fr= 1--     -0.0134                 1.2432                -0.2009
 Delta2 Fr= 1--     -0.0703                 0.4182                 0.3320
 Raman1 Fr= 1--      12.614                 14.368                 13.454
 ROA1   Fr= 1--      -3.537                132.733                 -8.666
 CID1   Fr= 1--      -0.280                  9.238                 -0.644
 Raman2 Fr= 1--       5.352                  6.067                  5.689
 ROA2   Fr= 1--       0.241                 26.492                 -7.478
 CID2   Fr= 1--       0.045                  4.367                 -1.314
 Raman3 Fr= 1--      10.704                 12.134                 11.379
 ROA3   Fr= 1--      -3.537                132.733                 -8.666
 CID3   Fr= 1--      -0.330                 10.939                 -0.762
 RC180  Fr= 1--       0.697                  0.689                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      4.4613                 1.0263                 2.1955
  Dep-P Fr= 1--      0.6780                 0.7311                 0.7024
  Dep-U Fr= 1--      0.8081                 0.8446                 0.8252
 Alpha2 Fr= 1--      0.0057                 0.0003                 0.0018
 Beta2  Fr= 1--      0.6009                 0.1445                 0.3019
 AlphaG Fr= 1--     -0.0200                 0.0029                 0.0069
 Gamma2 Fr= 1--      3.4005                -0.8253                 0.1828
 Delta2 Fr= 1--      1.7220                -0.7675                 0.2428
 Raman1 Fr= 1--      17.845                  4.105                  8.782
 ROA1   Fr= 1--     381.552               -103.790                 25.312
 CID1   Fr= 1--      21.381                -25.282                  2.882
 Raman2 Fr= 1--       7.211                  1.734                  3.623
 ROA2   Fr= 1--      67.836                -13.668                  2.444
 CID2   Fr= 1--       9.408                 -7.884                  0.675
 Raman3 Fr= 1--      14.421                  3.468                  7.246
 ROA3   Fr= 1--     381.552               -103.790                 25.312
 CID3   Fr= 1--      26.458                -29.932                  3.493
 RC180  Fr= 1--       0.616                  0.689                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      2.4907                 0.1130                 0.6176
  Dep-P Fr= 1--      0.6371                 0.5139                 0.0422
  Dep-U Fr= 1--      0.7783                 0.6789                 0.0810
 Alpha2 Fr= 1--      0.0051                 0.0005                 0.0124
 Beta2  Fr= 1--      0.3231                 0.0128                 0.0083
 AlphaG Fr= 1--     -0.0114                -0.0080                -0.0047
 Gamma2 Fr= 1--      0.2435                -0.0139                -0.0265
 Delta2 Fr= 1--     -0.0726                -0.0066                -0.0183
 Raman1 Fr= 1--       9.963                  0.452                  2.470
 ROA1   Fr= 1--      21.054                 -1.551                 -3.130
 CID1   Fr= 1--       2.113                 -3.431                 -1.267
 Raman2 Fr= 1--       3.877                  0.153                  0.100
 ROA2   Fr= 1--       6.425                 -0.281                 -0.490
 CID2   Fr= 1--       1.657                 -1.834                 -4.896
 Raman3 Fr= 1--       7.754                  0.307                  0.200
 ROA3   Fr= 1--      21.054                 -1.551                 -3.130
 CID3   Fr= 1--       2.715                 -5.053                -15.635
 RC180  Fr= 1--       0.557                  0.358                 -0.838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.4422                 1.9102                 3.2619
  Dep-P Fr= 1--      0.3705                 0.7439                 0.7398
  Dep-U Fr= 1--      0.5407                 0.8532                 0.8505
 Alpha2 Fr= 1--      0.0036                 0.0002                 0.0006
 Beta2  Fr= 1--      0.0398                 0.2716                 0.4624
 AlphaG Fr= 1--      0.0010                -0.0052                -0.0045
 Gamma2 Fr= 1--     -0.0247                -1.3704                 1.4072
 Delta2 Fr= 1--     -0.0218                -0.6817                 0.5798
 Raman1 Fr= 1--       1.769                  7.641                 13.048
 ROA1   Fr= 1--      -3.071               -153.369                153.640
 CID1   Fr= 1--      -1.736                -20.073                 11.775
 Raman2 Fr= 1--       0.478                  3.259                  5.548
 ROA2   Fr= 1--      -0.419                -27.435                 29.133
 CID2   Fr= 1--      -0.876                 -8.417                  5.251
 Raman3 Fr= 1--       0.956                  6.519                 11.097
 ROA3   Fr= 1--      -3.071               -153.369                153.640
 CID3   Fr= 1--      -3.211                -23.527                 13.846
 RC180  Fr= 1--       0.081                  0.706                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      7.1622                 3.3923                 3.5855
  Dep-P Fr= 1--      0.7497                 0.7223                 0.7127
  Dep-U Fr= 1--      0.8569                 0.8388                 0.8323
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0023
 Beta2  Fr= 1--      1.0229                 0.4742                 0.4973
 AlphaG Fr= 1--     -0.0014                 0.0036                -0.0037
 Gamma2 Fr= 1--     -2.2200                 1.7806                -1.1310
 Delta2 Fr= 1--     -0.5889                 1.6859                -0.9889
 Raman1 Fr= 1--      28.649                 13.569                 14.342
 ROA1   Fr= 1--    -231.966                224.888               -140.226
 CID1   Fr= 1--      -8.097                 16.574                 -9.777
 Raman2 Fr= 1--      12.275                  5.691                  5.968
 ROA2   Fr= 1--     -48.569                 29.248                -19.234
 CID2   Fr= 1--      -3.957                  5.139                 -3.223
 Raman3 Fr= 1--      24.550                 11.382                 11.936
 ROA3   Fr= 1--    -231.966                224.888               -140.226
 CID3   Fr= 1--      -9.449                 19.759                -11.748
 RC180  Fr= 1--       0.714                  0.678                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      6.7601                 2.8751                 2.4351
  Dep-P Fr= 1--      0.7461                 0.7269                 0.7318
  Dep-U Fr= 1--      0.8546                 0.8419                 0.8451
 Alpha2 Fr= 1--      0.0005                 0.0011                 0.0008
 Beta2  Fr= 1--      0.9628                 0.4034                 0.3430
 AlphaG Fr= 1--      0.0050                 0.0059                -0.0002
 Gamma2 Fr= 1--      1.5974                -0.7950                -0.9164
 Delta2 Fr= 1--      0.6834                -0.8322                -0.3441
 Raman1 Fr= 1--      27.041                 11.501                  9.740
 ROA1   Fr= 1--     175.218               -102.946                -98.989
 CID1   Fr= 1--       6.480                 -8.951                -10.163
 Raman2 Fr= 1--      11.554                  4.841                  4.116
 ROA2   Fr= 1--      32.870                -12.421                -19.242
 CID2   Fr= 1--       2.845                 -2.566                 -4.675
 Raman3 Fr= 1--      23.108                  9.682                  8.232
 ROA3   Fr= 1--     175.218               -102.946                -98.989
 CID3   Fr= 1--       7.583                -10.633                -12.025
 RC180  Fr= 1--       0.709                  0.684                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      5.4115                12.0165               130.8714
  Dep-P Fr= 1--      0.5701                 0.5666                 0.0174
  Dep-U Fr= 1--      0.7262                 0.7233                 0.0342
 Alpha2 Fr= 1--      0.0184                 0.0417                 2.7923
 Beta2  Fr= 1--      0.6550                 1.4486                 0.7452
 AlphaG Fr= 1--      0.0362                 0.0303                -0.1722
 Gamma2 Fr= 1--      0.7611                -0.1150                -0.0721
 Delta2 Fr= 1--      0.0875                 1.5077                 0.0998
 Raman1 Fr= 1--      21.646                 48.066                523.486
 ROA1   Fr= 1--      75.865                 37.208                 -3.733
 CID1   Fr= 1--       3.505                  0.774                 -0.007
 Raman2 Fr= 1--       7.860                 17.383                  8.943
 ROA2   Fr= 1--      17.567                -14.822                 -2.529
 CID2   Fr= 1--       2.235                 -0.853                 -0.283
 Raman3 Fr= 1--      15.719                 34.767                 17.886
 ROA3   Fr= 1--      75.865                 37.208                 -3.733
 CID3   Fr= 1--       4.826                  1.070                 -0.209
 RC180  Fr= 1--       0.452                  0.447                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      6.6428               283.9044                77.3310
  Dep-P Fr= 1--      0.6472                 0.0289                 0.2357
  Dep-U Fr= 1--      0.7858                 0.0563                 0.3815
 Alpha2 Fr= 1--      0.0123                 5.8948                 0.9536
 Beta2  Fr= 1--      0.8700                 2.6626                 4.9168
 AlphaG Fr= 1--     -0.0349                -0.4721                -0.4720
 Gamma2 Fr= 1--     -0.8737                 1.2703                 5.1698
 Delta2 Fr= 1--     -0.2381                 0.0171                -4.2451
 Raman1 Fr= 1--      26.571               1135.617                309.324
 ROA1   Fr= 1--     -91.494                122.494                360.453
 CID1   Fr= 1--      -3.443                  0.108                  1.165
 Raman2 Fr= 1--      10.440                 31.951                 59.002
 ROA2   Fr= 1--     -19.064                 30.350                158.035
 CID2   Fr= 1--      -1.826                  0.950                  2.678
 Raman3 Fr= 1--      20.881                 63.902                118.004
 ROA3   Fr= 1--     -91.494                122.494                360.453
 CID3   Fr= 1--      -4.382                  1.917                  3.055
 RC180  Fr= 1--       0.572                 -0.887                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--     91.3203               222.7400               125.2463
  Dep-P Fr= 1--      0.1415                 0.0929                 0.2731
  Dep-U Fr= 1--      0.2479                 0.1701                 0.4290
 Alpha2 Fr= 1--      1.4423                 3.9677                 1.3903
 Beta2  Fr= 1--      3.7736                 6.3137                 8.9548
 AlphaG Fr= 1--      1.2966                -0.1761                 1.2703
 Gamma2 Fr= 1--     16.8268               -15.4439                18.1720
 Delta2 Fr= 1--      7.1570                -4.7201                 7.3649
 Raman1 Fr= 1--     365.281                890.960                500.985
 ROA1   Fr= 1--    1844.394              -1633.658               1980.187
 CID1   Fr= 1--       5.049                 -1.834                  3.953
 Raman2 Fr= 1--      45.284                 75.764                107.458
 ROA2   Fr= 1--     346.586               -332.893                377.208
 CID2   Fr= 1--       7.654                 -4.394                  3.510
 Raman3 Fr= 1--      90.567                151.528                214.916
 ROA3   Fr= 1--    1844.394              -1633.658               1980.187
 CID3   Fr= 1--      20.365                -10.781                  9.214
 RC180  Fr= 1--      -0.504                 -0.660                 -0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    167.5351                55.9675                46.9864
  Dep-P Fr= 1--      0.0770                 0.7165                 0.7288
  Dep-U Fr= 1--      0.1430                 0.8348                 0.8431
 Alpha2 Fr= 1--      3.1017                 0.0324                 0.0171
 Beta2  Fr= 1--      3.9941                 7.7874                 6.6026
 AlphaG Fr= 1--     -0.5874                -0.1102                -0.1279
 Gamma2 Fr= 1--    -29.3461                13.7800                14.3659
 Delta2 Fr= 1--    -14.5485                 8.7049                 3.5778
 Raman1 Fr= 1--     670.140                223.870                187.945
 ROA1   Fr= 1--   -3282.775               1601.434               1493.613
 CID1   Fr= 1--      -4.899                  7.153                  7.947
 Raman2 Fr= 1--      47.930                 93.449                 79.231
 ROA2   Fr= 1--    -587.918                261.080                316.159
 CID2   Fr= 1--     -12.266                  2.794                  3.990
 Raman3 Fr= 1--      95.859                186.897                158.462
 ROA3   Fr= 1--   -3282.775               1601.434               1493.613
 CID3   Fr= 1--     -34.246                  8.569                  9.426
 RC180  Fr= 1--      -0.714                  0.670                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     77.2106                49.7274                78.8342
  Dep-P Fr= 1--      0.7389                 0.7161                 0.6587
  Dep-U Fr= 1--      0.8499                 0.8345                 0.7942
 Alpha2 Fr= 1--      0.0146                 0.0291                 0.1286
 Beta2  Fr= 1--     10.9365                 6.9166                10.4354
 AlphaG Fr= 1--     -0.0479                -0.1861                -0.0639
 Gamma2 Fr= 1--    -13.5545               -14.8179               -28.3513
 Delta2 Fr= 1--    -13.6130                -7.0856                 0.1262
 Raman1 Fr= 1--     308.842                198.910                315.337
 ROA1   Fr= 1--   -1736.844              -1649.254              -2717.682
 CID1   Fr= 1--      -5.624                 -8.291                 -8.618
 Raman2 Fr= 1--     131.237                 82.999                125.225
 ROA2   Fr= 1--    -216.404               -298.943               -681.440
 CID2   Fr= 1--      -1.649                 -3.602                 -5.442
 Raman3 Fr= 1--     262.475                165.998                250.450
 ROA3   Fr= 1--   -1736.844              -1649.254              -2717.682
 CID3   Fr= 1--      -6.617                 -9.935                -10.851
 RC180  Fr= 1--       0.700                  0.669                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     43.7424                43.1832                90.1122
  Dep-P Fr= 1--      0.3437                 0.7356                 0.6373
  Dep-U Fr= 1--      0.5115                 0.8477                 0.7785
 Alpha2 Fr= 1--      0.3920                 0.0106                 0.1838
 Beta2  Fr= 1--      3.7292                 6.1009                11.6916
 AlphaG Fr= 1--     -0.2812                -0.0379                -0.1102
 Gamma2 Fr= 1--     12.8499                24.5121                 3.4345
 Delta2 Fr= 1--      0.4941                12.0228                 3.6861
 Raman1 Fr= 1--     174.970                172.733                360.449
 ROA1   Fr= 1--    1249.399               2737.890                447.662
 CID1   Fr= 1--       7.141                 15.850                  1.242
 Raman2 Fr= 1--      44.751                 73.211                140.299
 ROA2   Fr= 1--     304.444                492.108                 52.938
 CID2   Fr= 1--       6.803                  6.722                  0.377
 Raman3 Fr= 1--      89.501                146.421                280.598
 ROA3   Fr= 1--    1249.399               2737.890                447.662
 CID3   Fr= 1--      13.960                 18.699                  1.595
 RC180  Fr= 1--       0.023                  0.695                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128045D+03  0.262455D+00 -0.454864D+00
      2   0.262455D+00  0.117584D+03  0.706073D+00
      3  -0.454864D+00  0.706073D+00  0.108374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.169126D+01  0.825694D+01 -0.129803D+02
      2  -0.765127D+01 -0.822679D-01 -0.383090D+01
      3   0.164224D+02 -0.392922D+01 -0.228793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.120497D+01 -0.204366D+02  0.262494D+00
      2   0.832217D+01  0.309065D+02 -0.249121D+02
      3  -0.711720D+01 -0.104699D+02  0.246496D+02
      4   0.738008D+01  0.102429D+02  0.277522D+01
      5   0.131585D+02  0.210159D+01 -0.134026D+02
      6   0.183051D+01 -0.956329D+01  0.160703D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424706D+01  0.328522D+01  0.679924D+00  0.338998D+01 -0.615030D+00
      2   0.328522D+01 -0.303184D+00  0.105778D+01 -0.615030D+00 -0.409986D+01
      3   0.679924D+00  0.105778D+01  0.211808D+01  0.130322D+01  0.111795D+01
                 6             7             8             9            10 
      1   0.130322D+01  0.203568D+01  0.212741D+01  0.133718D+01 -0.450529D+01
      2   0.111795D+01  0.212741D+01  0.205512D+01 -0.350201D+01 -0.450284D+01
      3  -0.353337D+01  0.133718D+01 -0.350201D+01 -0.147547D+01 -0.165883D+00
                11            12            13            14            15 
      1  -0.450284D+01 -0.165883D+00 -0.380126D+01  0.249568D+00  0.346402D+00
      2  -0.729980D+00  0.515274D+00  0.249568D+00  0.217802D+01 -0.149040D+01
      3   0.515274D+00  0.631848D+00  0.346402D+00 -0.149040D+01  0.261032D+01
                16            17            18            19            20 
      1  -0.179095D+01 -0.909197D-01 -0.629144D+00 -0.754264D+00 -0.145300D+01
      2  -0.909197D-01 -0.298063D+01  0.256820D+01 -0.145300D+01  0.222684D+01
      3  -0.629144D+00  0.256820D+01  0.423679D+01 -0.839513D+00  0.471130D+00
                21            22            23            24            25 
      1  -0.839513D+00 -0.460974D+01  0.201230D+01  0.383323D+00 -0.233458D+01
      2   0.471130D+00  0.201230D+01  0.459272D+01  0.210100D+01  0.490932D+00
      3  -0.496366D+00  0.383323D+00  0.210100D+01  0.632977D+00 -0.966335D+00
                26            27            28            29            30 
      1   0.490932D+00 -0.966335D+00 -0.191714D+00 -0.213949D+01 -0.980404D+00
      2   0.245144D+01  0.172398D+01 -0.213949D+01 -0.356946D+00 -0.110677D+00
      3   0.172398D+01  0.878981D+00 -0.980404D+00 -0.110677D+00 -0.133280D+00
                31            32            33            34            35 
      1  -0.814895D+00 -0.521303D+00 -0.104096D+00 -0.618054D+00 -0.265287D+00
      2  -0.521303D+00 -0.117539D+02 -0.360935D+01 -0.265287D+00 -0.360360D+01
      3  -0.104096D+00 -0.360935D+01 -0.225202D+01  0.150769D+00 -0.385137D+01
                36            37            38            39            40 
      1   0.150769D+00 -0.321658D+01  0.832128D+00  0.567676D+00  0.242364D+01
      2  -0.385137D+01  0.832128D+00 -0.224449D+01 -0.249011D+01 -0.357496D+01
      3  -0.381784D+01  0.567676D+00 -0.249011D+01  0.228964D+01 -0.386379D+01
                41            42            43            44            45 
      1  -0.357496D+01 -0.386379D+01  0.104731D+01 -0.350148D+01  0.313783D+01
      2  -0.120809D+01 -0.894496D+00 -0.350148D+01 -0.172485D+01  0.206197D+00
      3  -0.894496D+00  0.990965D+00  0.313783D+01  0.206197D+00 -0.313639D+00
                46            47            48            49            50 
      1   0.144678D+01  0.408483D+00 -0.178013D+01  0.308268D+00  0.309623D+01
      2   0.408483D+00  0.211610D+01  0.389074D+01  0.309623D+01  0.597184D+00
      3  -0.178013D+01  0.389074D+01 -0.446830D+00  0.460058D+01 -0.103936D+00
                51            52            53            54            55 
      1   0.460058D+01 -0.142078D+01  0.440268D+01  0.145214D+00  0.207329D+00
      2  -0.103936D+00  0.440268D+01  0.718034D+00 -0.201516D+01  0.106935D+00
      3  -0.992128D+00  0.145214D+00 -0.201516D+01 -0.309222D+00  0.105208D+01
                56            57            58            59            60 
      1   0.106935D+00  0.105208D+01  0.908141D+00 -0.211609D+01 -0.262563D+01
      2  -0.217527D+01 -0.310464D+01 -0.211609D+01 -0.345633D+01 -0.111960D+01
      3  -0.310464D+01  0.169033D+01 -0.262563D+01 -0.111960D+01  0.134696D+00
                61            62            63            64            65 
      1   0.992509D+00 -0.322861D+01  0.230289D+01 -0.272624D+01 -0.356823D+01
      2  -0.322861D+01 -0.164830D+01 -0.101301D+01 -0.356823D+01  0.478475D-01
      3   0.230289D+01 -0.101301D+01  0.507777D+00 -0.810433D+00 -0.145215D+01
                66            67            68            69            70 
      1  -0.810433D+00 -0.367646D+01 -0.907623D+00 -0.157669D+01 -0.495602D+00
      2  -0.145215D+01 -0.907623D+00  0.255518D+01 -0.173192D+01 -0.177648D+01
      3  -0.134229D+01 -0.157669D+01 -0.173192D+01  0.409742D+01 -0.199817D+01
                71            72            73            74            75 
      1  -0.177648D+01 -0.199817D+01  0.487106D+00  0.261745D+00 -0.829131D+00
      2  -0.185648D+01  0.409966D+01  0.261745D+00 -0.162606D+00 -0.654344D-02
      3   0.409966D+01  0.179849D+01 -0.829131D+00 -0.654344D-02 -0.380038D+00
                76            77            78            79            80 
      1  -0.110919D+00  0.255811D+00  0.374696D+00 -0.150795D+01  0.533400D-01
      2   0.255811D+00 -0.685585D+00 -0.787757D+00  0.533400D-01 -0.113690D+01
      3   0.374696D+00 -0.787757D+00 -0.195414D+01  0.115101D+01 -0.397839D+00
                81            82            83            84            85 
      1   0.115101D+01  0.863979D+01  0.334788D+01 -0.118452D+01  0.270684D+01
      2  -0.397839D+00  0.334788D+01  0.282494D+01 -0.719472D+00  0.180598D+01
      3  -0.792944D+01 -0.118452D+01 -0.719472D+00  0.119497D+01 -0.492782D+00
                86            87            88            89            90 
      1   0.180598D+01 -0.492782D+00  0.686184D+00  0.220461D+00  0.961083D+00
      2   0.196907D+01 -0.215927D+00  0.220461D+00  0.721575D+00  0.262354D+00
      3  -0.215927D+00  0.352464D+00  0.961083D+00  0.262354D+00 -0.597570D+00
                91            92            93            94            95 
      1   0.300598D+01 -0.174178D+01 -0.146341D+01 -0.298033D+01  0.327122D+01
      2  -0.174178D+01  0.201212D+01  0.302013D+01  0.327122D+01  0.305962D+01
      3  -0.146341D+01  0.302013D+01 -0.282891D+01  0.389963D+01  0.975431D+00
                96            97            98            99           100 
      1   0.389963D+01 -0.511557D+00  0.315389D+01 -0.311592D+01  0.268094D+01
      2   0.975431D+00  0.315389D+01  0.190691D+01  0.917860D-01 -0.164355D+01
      3  -0.871633D+00 -0.311592D+01  0.917860D-01 -0.166560D+01 -0.296630D+00
               101           102           103           104           105 
      1  -0.164355D+01 -0.296630D+00 -0.162944D+01  0.414754D+01  0.301883D+01
      2   0.299529D+01  0.241525D+01  0.414754D+01  0.111741D+01  0.183484D+01
      3   0.241525D+01 -0.321655D+01  0.301883D+01  0.183484D+01 -0.492288D+00
               106           107           108           109           110 
      1  -0.119808D+01  0.336811D+01 -0.305724D+01 -0.866149D+00 -0.297721D+01
      2   0.336811D+01  0.129356D+01 -0.484580D+00 -0.297721D+01 -0.167951D+01
      3  -0.305724D+01 -0.484580D+00  0.137650D+01 -0.874905D-01 -0.400902D+01
               111           112           113           114           115 
      1  -0.874905D-01 -0.307519D+01 -0.175071D+01 -0.387347D+01  0.399405D+00
      2  -0.400902D+01 -0.175071D+01  0.352530D+00 -0.220024D+01 -0.366258D+01
      3  -0.518170D+00 -0.387347D+01 -0.220024D+01  0.299178D+01 -0.953929D+00
               116           117           118           119           120 
      1  -0.366258D+01 -0.953929D+00 -0.399824D+01  0.195977D+01  0.214783D+01
      2  -0.114112D+01  0.343956D+01  0.195977D+01 -0.249256D+01 -0.159445D+01
      3   0.343956D+01 -0.131154D+01  0.214783D+01 -0.159445D+01 -0.192469D+01
               121           122           123           124           125 
      1   0.172760D+01 -0.220569D+01 -0.156529D+01  0.200272D+01 -0.167283D+01
      2  -0.220569D+01  0.384938D+01  0.186469D+01 -0.167283D+01  0.207486D+01
      3  -0.156529D+01  0.186469D+01  0.197026D+01 -0.196352D+01  0.226126D+01
               126           127           128           129           130 
      1  -0.196352D+01  0.144262D+01  0.176435D+01  0.881300D-01  0.160534D+01
      2   0.226126D+01  0.176435D+01  0.296339D+01  0.579520D+00  0.206061D+01
      3   0.339766D+01  0.881300D-01  0.579520D+00  0.278234D+00  0.377024D+00
               131           132           133           134           135 
      1   0.206061D+01  0.377024D+00  0.583237D+00  0.941311D+00  0.179698D+00
      2   0.919828D+01  0.114898D+01  0.941311D+00  0.293302D+01  0.147985D+01
      3   0.114898D+01  0.112332D+01  0.179698D+00  0.147985D+01  0.879803D+00
               136           137           138           139           140 
      1  -0.282987D+01  0.114252D+01 -0.168442D+01  0.632502D+00 -0.100241D+01
      2   0.114252D+01 -0.193109D+01  0.147914D+01 -0.100241D+01  0.271675D+01
      3  -0.168442D+01  0.147914D+01 -0.199229D+01  0.811102D+00 -0.131728D+01
               141           142           143           144           145 
      1   0.811102D+00 -0.209569D+01  0.120327D+01 -0.181363D+01  0.637267D-01
      2  -0.131728D+01  0.120327D+01 -0.228320D+01  0.217128D+01 -0.294687D+00
      3   0.131619D+01 -0.181363D+01  0.217128D+01 -0.369619D+01  0.582613D+00
               146           147           148           149           150 
      1  -0.294687D+00  0.582613D+00 -0.128438D+01  0.148344D+01 -0.445359D+00
      2  -0.354408D+00  0.217549D+00  0.148344D+01 -0.540814D+01  0.264116D+01
      3   0.217549D+00 -0.147280D+00 -0.445359D+00  0.264116D+01 -0.269662D+01
               151           152           153           154           155 
      1   0.163923D+01 -0.832878D+00  0.987121D+00  0.825896D+01  0.149715D+01
      2  -0.832878D+00  0.331758D+01 -0.280914D+01  0.149715D+01  0.134015D+01
      3   0.987121D+00 -0.280914D+01  0.291160D+01  0.144636D+01  0.351461D+00
               156           157           158           159           160 
      1   0.144636D+01  0.442694D+01  0.135999D+01  0.807304D+00  0.194618D+01
      2   0.351461D+00  0.135999D+01  0.144827D+01  0.501826D+00  0.420136D+00
      3   0.134354D+01  0.807304D+00  0.501826D+00  0.541123D+00  0.159342D+01
               161           162           163           164           165 
      1   0.420136D+00  0.159342D+01  0.169403D+01 -0.541950D+00 -0.110408D+01
      2   0.648732D+00 -0.147497D+00 -0.541950D+00  0.699619D+00  0.783606D+00
      3  -0.147497D+00  0.699090D+00 -0.110408D+01  0.783606D+00  0.109188D+01
               166           167           168           169           170 
      1  -0.117553D+01  0.147031D+01  0.101173D+01 -0.322393D+01  0.185441D+01
      2   0.147031D+01 -0.257828D+01 -0.132578D+01  0.185441D+01 -0.237126D+01
      3   0.101173D+01 -0.132578D+01 -0.210731D+01  0.223555D+01 -0.243604D+01
               171           172           173           174           175 
      1   0.223555D+01  0.155150D+01  0.262127D+00  0.101378D+01  0.587407D-01
      2  -0.243604D+01  0.262127D+00  0.703430D+00 -0.898086D+00 -0.331399D-01
      3  -0.476602D+01  0.101378D+01 -0.898086D+00  0.234699D+01 -0.519189D+00
               176           177           178           179           180 
      1  -0.331399D-01 -0.519189D+00  0.174247D+01 -0.205326D+00  0.911675D+00
      2  -0.118646D+01  0.105670D+01 -0.205326D+00  0.128308D+01 -0.154974D+01
      3   0.105670D+01 -0.120342D+01  0.911675D+00 -0.154974D+01  0.617380D+01
               181           182           183           184           185 
      1  -0.237277D+01 -0.161244D+01  0.139460D-02 -0.281703D+01 -0.323852D+01
      2  -0.161244D+01 -0.207517D+01 -0.367002D+00 -0.323852D+01 -0.622903D+01
      3   0.139460D-02 -0.367002D+00 -0.172857D+00 -0.132897D+00 -0.929696D-01
               186           187           188           189           190 
      1  -0.132897D+00 -0.132702D+01 -0.115887D+01 -0.985044D-01 -0.735888D+01
      2  -0.929696D-01 -0.115887D+01 -0.158754D+01 -0.655324D+00  0.151437D+01
      3  -0.128353D+01 -0.985044D-01 -0.655324D+00 -0.584337D+00  0.256909D+01
               191           192           193           194           195 
      1   0.151437D+01  0.256909D+01  0.403770D+01 -0.191227D+01 -0.185897D+01
      2  -0.163755D+01 -0.649070D+00 -0.191227D+01  0.136121D+01  0.608051D+00
      3  -0.649070D+00 -0.182407D+01 -0.185897D+01  0.608051D+00  0.169431D+01
               196           197           198           199           200 
      1   0.162610D+01 -0.717311D+00 -0.134343D+01  0.149458D+01  0.822236D+00
      2  -0.717311D+00  0.237392D+00  0.475506D+00  0.822236D+00  0.549014D+00
      3  -0.134343D+01  0.475506D+00  0.167555D+01 -0.619280D+00 -0.720665D+00
               201           202           203           204           205 
      1  -0.619280D+00  0.115299D+01  0.577376D-01 -0.291926D+00 -0.130783D+01
      2  -0.720665D+00  0.577376D-01  0.123033D+01 -0.133424D+01 -0.602691D+00
      3   0.228143D+01 -0.291926D+00 -0.133424D+01  0.173008D+01  0.663277D+00
               206           207           208           209           210 
      1  -0.602691D+00  0.663277D+00 -0.663207D+01  0.277927D+01 -0.313826D+00
      2  -0.158005D+01  0.167229D+01  0.277927D+01 -0.249066D+01 -0.723819D-01
      3   0.167229D+01 -0.562485D+01 -0.313826D+00 -0.723819D-01 -0.884945D+00
               211           212           213           214           215 
      1   0.408878D+01 -0.306322D+01  0.345729D-01  0.181199D+01 -0.915110D+00
      2  -0.306322D+01  0.292380D+01 -0.357646D+00 -0.915110D+00  0.577827D+00
      3   0.345729D-01 -0.357646D+00  0.101808D+01 -0.465387D+00  0.513341D+00
               216           217           218           219           220 
      1  -0.465387D+00 -0.320161D+01 -0.149513D+01 -0.127867D+01 -0.343137D+01
      2   0.513341D+00 -0.149513D+01 -0.184515D+01 -0.101799D+01 -0.266940D+01
      3   0.351215D+00 -0.127867D+01 -0.101799D+01 -0.886232D+00 -0.199692D+01
               221           222           223           224           225 
      1  -0.266940D+01 -0.199692D+01 -0.115903D+01 -0.109564D+01 -0.101388D+01
      2  -0.378272D+01 -0.166741D+01 -0.109564D+01 -0.121216D+01 -0.114552D+01
      3  -0.166741D+01 -0.230737D+01 -0.101388D+01 -0.114552D+01 -0.189962D+01
               226           227           228           229           230 
      1  -0.964334D+00 -0.392384D+00  0.949827D+00 -0.828676D+00  0.443493D-01
      2  -0.392384D+00 -0.155218D+00  0.607905D+00  0.443493D-01 -0.223495D+01
      3   0.949827D+00  0.607905D+00 -0.557884D+00  0.422188D+00  0.227272D+01
               231           232           233           234           235 
      1   0.422188D+00  0.118021D+01  0.363067D+00 -0.101258D+00  0.439762D+01
      2   0.227272D+01  0.363067D+00  0.157723D+01 -0.212543D+01  0.237850D+01
      3  -0.350426D+01 -0.101258D+00 -0.212543D+01  0.621170D+01  0.233913D+01
               236           237           238           239           240 
      1   0.237850D+01  0.233913D+01  0.276777D+01  0.229528D+01  0.195640D+01
      2   0.215504D+01  0.182278D+01  0.229528D+01  0.347360D+01  0.212561D+01
      3   0.182278D+01  0.248574D+01  0.195640D+01  0.212561D+01  0.199410D+01
               241           242           243 
      1   0.129782D+01  0.112699D+01  0.176364D+01
      2   0.112699D+01  0.132971D+01  0.116738D+01
      3   0.176364D+01  0.116738D+01  0.289239D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.569241D+00  0.272766D+01  0.168230D+00  0.509747D+00  0.218408D+01
      2  -0.321122D+01 -0.219628D+00  0.118435D+02  0.142741D+01  0.202500D+01
      3  -0.492488D+01 -0.681989D+01  0.349909D+00  0.336565D+01  0.544438D+01
                 6             7             8             9            10 
      1  -0.444966D+01  0.156720D+01  0.193034D+01 -0.255094D+00  0.548225D+01
      2  -0.565093D+01 -0.205135D+00 -0.936415D+01 -0.384457D+01 -0.193348D+01
      3  -0.199399D+01 -0.345103D+01 -0.714731D+01  0.447812D+01  0.863183D+01
                11            12            13            14            15 
      1  -0.152145D+01 -0.176850D+01 -0.148210D+01  0.139312D+01 -0.147731D+01
      2  -0.224336D+00  0.296791D+01 -0.405383D+01 -0.138725D+01  0.584355D+01
      3  -0.442197D+01 -0.158972D+01 -0.213143D+01 -0.351192D+01  0.297696D+01
                16            17            18            19            20 
      1  -0.786965D+00  0.410649D+01 -0.860122D+01  0.380256D-02 -0.130886D+01
      2  -0.404065D+01  0.793819D+01  0.111083D+02  0.255977D+01  0.419648D+01
      3  -0.485983D+00  0.780614D+01 -0.467771D+01  0.255837D+01  0.459539D+00
                21            22            23            24            25 
      1  -0.141628D+01  0.120236D+01 -0.720107D+01  0.619584D+01 -0.970658D+00
      2  -0.697702D+01  0.110828D+02 -0.126732D+01  0.309197D+01 -0.206442D+02
      3  -0.320983D+01  0.597294D+01 -0.355735D+01  0.919233D+00 -0.991525D+01
                26            27            28            29            30 
      1   0.975770D+01  0.899109D+01 -0.266188D+00  0.731817D+00 -0.224131D+00
      2   0.395356D+01  0.218429D+01 -0.144717D+01 -0.155887D+01  0.341603D+01
      3   0.731280D+00 -0.855232D+00 -0.366744D+00  0.468911D+00  0.195400D+01
                31            32            33            34            35 
      1  -0.463398D+00  0.390510D+01 -0.100464D+02 -0.106709D+00 -0.155569D+00
      2  -0.949541D+01  0.278805D+00  0.180051D+01  0.807012D+00 -0.305505D-01
      3   0.128513D+02  0.260691D+01  0.142696D+01  0.970524D+01  0.752480D+00
                36            37            38            39            40 
      1  -0.691206D+01  0.796967D+00 -0.242337D+01  0.309893D+01 -0.762879D+00
      2   0.468457D+00  0.159199D+01  0.274627D+01  0.157707D+01  0.614048D+01
      3   0.108406D+01 -0.162939D+01 -0.116028D+02 -0.434182D+01 -0.184002D+01
                41            42            43            44            45 
      1  -0.153367D+01 -0.620576D+01  0.199507D+01  0.291512D+01 -0.386987D+00
      2   0.402029D+01 -0.505168D+01 -0.776545D+01  0.504207D+00 -0.195199D+01
      3  -0.742829D+00 -0.449601D+01 -0.611468D+01 -0.157924D+01  0.547875D+00
                46            47            48            49            50 
      1   0.365218D+01 -0.459732D+01  0.527741D+01 -0.541645D+01  0.446224D+00
      2   0.178855D+01 -0.196324D+01  0.494330D+01 -0.417195D+01 -0.107683D+01
      3  -0.263143D+01 -0.185725D+01 -0.471041D+00  0.463484D+01  0.463980D+01
                51            52            53            54            55 
      1  -0.150890D-01  0.551719D+01  0.737363D+01 -0.607299D+00 -0.453288D+01
      2  -0.348960D+01 -0.220919D+01 -0.458307D+01 -0.383346D+00 -0.954081D+00
      3   0.582794D+01  0.425209D+00  0.564854D+01 -0.194622D+01  0.873832D+00
                56            57            58            59            60 
      1   0.115215D+02 -0.467874D+01  0.105362D+02  0.575554D+01 -0.218797D+01
      2   0.436129D+00  0.292751D+01  0.673327D+00 -0.117840D+01 -0.165817D+01
      3  -0.184455D+01  0.324177D+01  0.591553D+01 -0.589167D+01 -0.862966D+01
                61            62            63            64            65 
      1  -0.632453D+01  0.558746D+01 -0.242065D+01 -0.710052D+00 -0.248041D+01
      2  -0.666923D+00 -0.222665D+01  0.238724D+01 -0.944424D+00 -0.388991D+01
      3   0.353491D+01 -0.104489D+02  0.778274D+01  0.144822D+02  0.226965D+01
                66            67            68            69            70 
      1  -0.184371D+01 -0.255867D+01 -0.205135D+01  0.417658D+01 -0.510675D+01
      2  -0.141729D+01 -0.535108D+01 -0.466065D+01  0.120194D+02 -0.929415D+01
      3   0.573804D+01  0.106695D+02 -0.770527D+01  0.748515D+01  0.597228D+01
                71            72            73            74            75 
      1   0.848072D+01  0.309655D+01  0.592751D+00  0.753102D+00  0.548970D+00
      2   0.125444D+02  0.539409D+01 -0.222704D+01 -0.113342D+00 -0.110241D+01
      3   0.705885D+01 -0.103548D+02 -0.778611D+00 -0.119064D+00 -0.618390D+00
                76            77            78            79            80 
      1  -0.120123D+00  0.289359D+01  0.173970D+01 -0.140364D+01  0.520743D+01
      2  -0.620160D+00 -0.150904D+01 -0.367241D+01 -0.292137D+01 -0.835268D+00
      3   0.445210D+00  0.198139D+01  0.114377D+01 -0.114586D+01  0.231934D+01
                81            82            83            84            85 
      1   0.950430D+01 -0.157131D+01 -0.221206D+01 -0.159952D+01 -0.131719D+01
      2  -0.136088D+02  0.537740D+01 -0.390104D+00  0.434334D+01  0.279814D+01
      3   0.189955D+01  0.328872D+01 -0.604297D+01  0.704199D+00  0.172383D+01
                86            87            88            89            90 
      1  -0.152771D+01 -0.137998D+01 -0.695212D+00 -0.194787D+00  0.468617D+00
      2   0.134322D+01  0.612413D+00  0.557889D+00 -0.811154D+00 -0.624323D+00
      3  -0.230094D+01 -0.541145D+00  0.153653D+00 -0.204898D+01  0.307063D+00
                91            92            93            94            95 
      1  -0.339632D+01  0.638482D+01  0.373512D+00  0.820297D+01  0.749988D+01
      2   0.458304D+00 -0.587468D+01  0.107939D+02 -0.901851D+01 -0.676272D+01
      3  -0.654350D+01  0.433333D+01  0.916299D+01  0.106811D+02  0.623317D+01
                96            97            98            99           100 
      1  -0.440918D+00  0.126119D+01  0.472819D+01 -0.373134D+01  0.101398D+01
      2  -0.131721D+01  0.764676D+01 -0.477426D+01  0.111485D+02  0.367377D+01
      3   0.961686D+00  0.100083D+02  0.148048D+01  0.310213D+01 -0.297195D+01
               101           102           103           104           105 
      1  -0.412389D+01 -0.405061D+01 -0.678669D+01 -0.211147D+01 -0.540009D+01
      2  -0.810703D+01  0.103313D+02 -0.863790D+01 -0.164774D+01  0.566947D+01
      3   0.596055D+01  0.678104D+01  0.136597D+02  0.351504D+01  0.667869D+01
               106           107           108           109           110 
      1  -0.504469D+01 -0.118549D+01  0.210657D+00 -0.634427D+01 -0.580792D-01
      2   0.611370D+01  0.512653D+01 -0.872833D+01 -0.336872D+01 -0.494174D+00
      3   0.103024D+02  0.432589D+01 -0.234393D+01  0.327748D+01 -0.417820D+01
               111           112           113           114           115 
      1  -0.792338D+01 -0.623572D+00 -0.769363D+00 -0.100918D+02 -0.630385D+01
      2  -0.721897D+00  0.117082D+01 -0.214411D+01  0.100543D+02 -0.464172D+01
      3   0.244714D+01  0.123447D+01 -0.360515D+01 -0.107230D-01  0.356520D+01
               116           117           118           119           120 
      1  -0.287039D+01  0.593168D+01 -0.152505D+01 -0.930751D+00  0.230599D+01
      2   0.100373D+02 -0.242226D+01  0.329723D+01 -0.799407D+00  0.123262D+01
      3  -0.401352D+00 -0.374026D+01 -0.583058D+01 -0.143603D+01  0.196323D+01
               121           122           123           124           125 
      1   0.487461D+00  0.145381D+01 -0.316774D+01  0.128189D+01  0.521085D+00
      2  -0.118888D+01  0.903417D+00 -0.109469D+01 -0.311152D+01  0.324755D+00
      3   0.324994D+01  0.955784D-01 -0.123597D+01  0.313366D+01  0.835877D-01
               126           127           128           129           130 
      1  -0.375716D+01 -0.752499D+00 -0.344310D+01 -0.173784D+01 -0.217009D+01
      2  -0.999449D+00  0.470138D+00  0.520258D+00  0.146861D+01  0.418172D+00
      3  -0.129566D+01  0.416266D+01  0.210754D+01  0.218537D+00  0.626063D+01
               131           132           133           134           135 
      1  -0.692683D+01 -0.646291D+01 -0.433958D+00 -0.364959D+01 -0.397689D+01
      2   0.104295D+01  0.110216D+01 -0.327542D+00  0.616373D+00 -0.146506D+00
      3   0.286148D+01  0.920798D+00  0.222029D+01  0.164730D+01 -0.158137D+00
               136           137           138           139           140 
      1   0.487457D+01 -0.177757D+01  0.595146D+01 -0.133549D+01  0.182093D+01
      2  -0.363997D+01  0.383676D+00 -0.777993D+00  0.662150D+00 -0.116110D+01
      3  -0.994754D+01  0.112550D+01 -0.459467D+01  0.271332D+01 -0.210342D+01
               141           142           143           144           145 
      1  -0.334879D+01  0.510619D+01 -0.182906D+01  0.958294D+01  0.702118D+00
      2   0.611861D-01 -0.487571D+01  0.995360D+00 -0.155249D+01  0.178635D+01
      3   0.262743D+01 -0.743762D+01  0.323456D+01 -0.542759D+01  0.116478D+01
               146           147           148           149           150 
      1  -0.569169D-01 -0.437033D+00 -0.353622D+00  0.162000D+01 -0.543442D+01
      2   0.134290D+00 -0.583693D-01  0.610632D-01  0.701249D+01 -0.800386D+01
      3   0.312435D+00 -0.132192D+01  0.123307D-01  0.139144D+02 -0.740168D+01
               151           152           153           154           155 
      1   0.684640D+00 -0.136650D+01  0.436540D+01  0.194316D+01  0.135206D+01
      2  -0.642414D-01 -0.742367D+01  0.802017D+01  0.225283D+01  0.878378D+00
      3  -0.112322D+01 -0.914416D+01  0.726655D+01 -0.123179D+02 -0.860127D+01
               156           157           158           159           160 
      1   0.105217D+01  0.112427D+01  0.127945D+01 -0.376708D+00  0.159688D+01
      2   0.595454D+01  0.154281D+01  0.115155D+01  0.250605D+01  0.251654D+01
      3  -0.280720D+01 -0.641031D+01 -0.719955D+01 -0.222773D+01 -0.343822D+01
               161           162           163           164           165 
      1   0.981930D+00  0.464568D+00 -0.169414D+01  0.106664D+01  0.194796D+01
      2  -0.552056D+00  0.209587D+01 -0.343528D+01  0.275670D+01  0.424640D+01
      3  -0.316562D+01 -0.985072D+00  0.334966D+00 -0.211551D+01 -0.861164D+00
               166           167           168           169           170 
      1   0.166111D+01 -0.138340D+01 -0.463772D+01  0.307851D+01 -0.150271D+01
      2   0.238312D+01 -0.388515D+01 -0.697404D+01  0.377392D+01 -0.696501D+01
      3  -0.828441D+00  0.594120D+01  0.274629D+01 -0.256295D+00  0.591172D+01
               171           172           173           174           175 
      1  -0.782116D+01  0.257303D+01  0.135362D+01  0.180027D+01 -0.359238D+00
      2  -0.146391D+02 -0.848020D+01  0.844275D+00 -0.689752D+01  0.154732D+01
      3   0.509319D+01 -0.320790D+01  0.456813D+00 -0.337188D+01  0.106493D+01
               176           177           178           179           180 
      1  -0.104972D+01 -0.800240D+00  0.134000D+01  0.260367D+01  0.469446D+01
      2  -0.231929D+01  0.325097D+01 -0.917787D+01  0.342362D+01 -0.159981D+02
      3  -0.228226D+01  0.263312D+01 -0.359656D+01  0.269131D+01 -0.522224D+01
               181           182           183           184           185 
      1  -0.257843D+01 -0.335729D+01 -0.120526D+01 -0.445713D+01 -0.883230D+01
      2   0.274691D+01  0.275785D+01  0.126489D+01  0.351208D+01  0.458767D+01
      3  -0.134731D+01 -0.473315D+01 -0.758583D+00 -0.252172D+01 -0.133752D+02
               186           187           188           189           190 
      1  -0.460669D+01 -0.876404D+00 -0.202404D+01 -0.280234D+01  0.387370D+01
      2   0.479686D+01 -0.949594D-01  0.265348D+01  0.222474D+01  0.240077D+01
      3  -0.491379D+00 -0.486871D+00 -0.348016D+01 -0.198246D+01  0.766458D+01
               191           192           193           194           195 
      1  -0.395421D+01 -0.164381D+01 -0.332902D+01  0.282300D+01  0.267891D+00
      2  -0.519881D+00  0.392067D+01  0.601051D-01  0.608814D+00 -0.387112D+01
      3  -0.769069D+01 -0.316552D+01 -0.463705D+01  0.552479D+01  0.155196D+01
               196           197           198           199           200 
      1  -0.218748D+01  0.166911D+01  0.191124D+01 -0.203005D+01 -0.230666D+01
      2  -0.749451D+00 -0.780321D-01 -0.289906D+01  0.690208D+01  0.381232D+01
      3  -0.318484D+01  0.195649D+01  0.200934D+01  0.322828D+01  0.152524D+01
               201           202           203           204           205 
      1   0.476993D+00 -0.118838D+01 -0.267714D+01  0.500117D+00  0.139008D+01
      2  -0.593385D+01  0.420644D+01  0.420781D+01 -0.520487D+01 -0.746657D+01
      3  -0.215192D+01  0.250393D+01  0.363139D+01 -0.346419D+01 -0.300453D+01
               206           207           208           209           210 
      1   0.443449D+01 -0.607108D+00 -0.318156D+01  0.327450D+01  0.178720D+01
      2  -0.581257D+01  0.146089D+02 -0.511758D+01  0.324554D+01  0.429458D+01
      3  -0.390858D+01  0.458145D+01  0.434989D+01 -0.763129D+01 -0.422865D+00
               211           212           213           214           215 
      1   0.350438D+01 -0.328963D+01 -0.176983D+01  0.921442D+00  0.139744D+00
      2   0.380769D+01 -0.166714D+01 -0.446310D+01  0.496389D+00 -0.144440D+01
      3  -0.451929D+01  0.790406D+01 -0.895494D+00 -0.180932D+01  0.189089D+01
               216           217           218           219           220 
      1  -0.130372D+01  0.274487D+01  0.336477D+01  0.117929D+01  0.365702D+01
      2  -0.202727D+01 -0.516313D+00  0.637181D+00  0.196290D+01  0.104822D+00
      3   0.114089D+01 -0.420819D+01 -0.618862D+01 -0.305017D+01 -0.443621D+01
               221           222           223           224           225 
      1   0.736354D+01  0.414920D+00  0.216519D+01  0.321750D+01  0.145193D+01
      2   0.133365D+01  0.482008D+01 -0.363716D+00  0.113520D+01  0.372834D+01
      3  -0.119062D+02 -0.414763D+01 -0.301421D+01 -0.403967D+01 -0.310282D+01
               226           227           228           229           230 
      1  -0.163249D+01 -0.186444D+01  0.185853D+01 -0.368011D+00 -0.659955D+01
      2   0.457547D+01  0.226427D+01 -0.160746D+01  0.478915D+01  0.261552D+01
      3   0.541387D+00 -0.717916D-01 -0.133091D+00  0.233540D+01  0.262550D+01
               231           232           233           234           235 
      1   0.448226D+01  0.130092D+01  0.727997D+01 -0.666988D+01  0.253111D+01
      2  -0.527105D+01 -0.535748D+01 -0.344353D+01  0.604512D+01 -0.483300D+01
      3  -0.215797D+01 -0.790195D+00 -0.110565D+01  0.238011D+01  0.201504D+01
               236           237           238           239           240 
      1   0.388586D+01  0.701899D+00  0.243352D+01  0.516195D+01  0.337441D+00
      2  -0.110606D+01  0.219007D+01 -0.385018D+01 -0.464459D+00  0.938017D-01
      3  -0.245411D+01 -0.452427D-01  0.205077D+01 -0.260441D+01 -0.432966D+00
               241           242           243 
      1   0.116628D+01  0.263318D+01 -0.466390D+00
      2  -0.195515D+01 -0.104148D+01  0.638075D+00
      3   0.233524D+00 -0.106928D+01  0.419058D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.163230D+02  0.622291D+01 -0.120393D+01  0.130137D+02  0.759155D+00
      2  -0.100570D+02 -0.350130D+01 -0.262968D+01 -0.834764D+01  0.498209D+01
      3  -0.626599D+01 -0.272160D+01  0.383360D+01 -0.466606D+01 -0.574125D+01
      4   0.119086D+02  0.419345D+01  0.140060D+01  0.291143D+01 -0.412968D+01
      5  -0.136292D+01  0.370160D+01  0.987630D+01  0.690647D+01  0.812275D+01
      6  -0.947643D+00  0.125395D+01  0.606059D+01  0.418451D+01  0.688974D+01
                 6             7             8             9            10 
      1   0.330860D+01  0.368078D+01  0.619051D+01  0.713210D+01 -0.197813D+02
      2   0.150056D+00 -0.170166D+01  0.198430D-01 -0.213164D+01  0.296232D+01
      3  -0.345865D+01 -0.197912D+01 -0.621036D+01 -0.500046D+01  0.168190D+02
      4   0.488366D+01  0.495706D+01  0.731555D+01 -0.118436D+02 -0.248871D+02
      5  -0.536505D+01  0.655100D+01 -0.120943D+02 -0.148060D+01  0.849498D+01
      6  -0.134475D+01 -0.417318D+01 -0.302648D+01 -0.111745D+01  0.692290D+01
                11            12            13            14            15 
      1  -0.166357D+02  0.898807D+00 -0.173727D+02 -0.531387D+01  0.746822D+01
      2   0.125258D+02  0.236802D+01  0.103945D+02 -0.100011D+01  0.921379D+00
      3   0.410991D+01 -0.326682D+01  0.697820D+01  0.631398D+01 -0.838960D+01
      4  -0.120683D+02  0.291660D+01 -0.115184D+02  0.288984D+01 -0.410634D+01
      5   0.883909D+01  0.194325D+01  0.582088D+01 -0.599746D+01  0.736084D+01
      6   0.614437D+01 -0.121685D+01  0.624596D+00 -0.642951D+01  0.505047D+01
                16            17            18            19            20 
      1  -0.567901D+01  0.376550D+01  0.576023D+01 -0.197209D+02 -0.199272D+00
      2   0.275560D+01  0.593507D+00  0.137738D+02  0.123788D+02 -0.265068D+01
      3   0.292341D+01 -0.435901D+01 -0.195340D+02  0.734214D+01  0.284995D+01
      4  -0.245945D+01 -0.534604D+01  0.777481D+01 -0.187258D+01 -0.413587D+01
      5   0.146174D+01  0.969967D+01  0.916872D+01  0.131708D+01 -0.917665D+00
      6   0.274772D+01  0.807889D+01 -0.735596D+00  0.122129D+01 -0.190417D+01
                21            22            23            24            25 
      1  -0.959582D+00 -0.248402D+01  0.171752D+02  0.649773D+01 -0.323858D+01
      2   0.863403D+00  0.273905D+00 -0.249462D+02 -0.140270D+01  0.341560D+01
      3   0.961794D-01  0.221012D+01  0.777107D+01 -0.509504D+01 -0.177026D+00
      4   0.421806D+00 -0.835981D+01  0.315899D+01 -0.244225D-01 -0.717763D+01
      5  -0.773021D+01 -0.939320D+01 -0.366886D+01  0.296878D+01 -0.978933D+00
      6  -0.871097D+00 -0.247091D+00 -0.180701D+02 -0.110396D+02 -0.176207D+00
                26            27            28            29            30 
      1   0.800450D+01  0.238325D+01  0.246686D+01 -0.119768D+01 -0.933045D+00
      2  -0.143827D+02 -0.588832D+01  0.204300D+01  0.194361D+01  0.223419D+00
      3   0.637822D+01  0.350507D+01 -0.450986D+01 -0.745926D+00  0.709626D+00
      4  -0.603932D+00  0.237163D+01  0.115837D+01  0.124126D+02  0.322281D+01
      5   0.157098D+01 -0.699826D-01 -0.112742D+00  0.285507D+01  0.728441D+01
      6  -0.261831D+01 -0.106857D+02  0.412555D+01  0.666488D+00  0.137710D+01
                31            32            33            34            35 
      1   0.122171D+01 -0.414678D+02 -0.145751D+02  0.459136D+00 -0.166363D+02
      2  -0.341914D+00  0.619856D+02  0.117722D+02 -0.853181D+00  0.128837D+02
      3  -0.879795D+00 -0.205177D+02  0.280296D+01  0.394045D+00  0.375262D+01
      4   0.160352D+02  0.111402D+00 -0.728653D+00  0.564873D+01 -0.911718D+00
      5   0.503541D+01  0.171727D+01  0.124887D+01  0.849284D+01  0.217394D+01
      6  -0.235267D+00  0.290670D+02  0.229351D+02  0.933634D+00  0.249896D+02
                36            37            38            39            40 
      1  -0.178547D+02  0.134481D+02  0.215317D+01  0.669040D+00 -0.614482D+01
      2   0.769149D+01 -0.431927D+01 -0.192672D+01  0.151635D+01  0.679175D+01
      3   0.101632D+02 -0.912879D+01 -0.226450D+00 -0.218539D+01 -0.646932D+00
      4  -0.296106D+00 -0.409117D+01  0.930784D+01  0.106338D+02  0.626639D+01
      5   0.230320D+01 -0.525966D+01  0.899506D+01 -0.646229D+01  0.145535D+02
      6   0.228851D+02  0.510090D+01 -0.102769D+01 -0.742812D+01  0.127531D+01
                41            42            43            44            45 
      1   0.824500D+01  0.104573D+02 -0.117293D+01  0.115131D+02 -0.123712D+02
      2  -0.412946D+01 -0.102655D+02 -0.470636D+00 -0.843440D+01  0.843952D+01
      3  -0.411554D+01 -0.191776D+00  0.164357D+01 -0.307873D+01  0.393173D+01
      4  -0.199511D+01  0.402233D+01  0.146171D+02  0.421183D+00 -0.383700D+01
      5   0.389600D+01 -0.953122D+01 -0.148958D+02 -0.190117D+01 -0.158516D+01
      6   0.655149D+00 -0.137709D+01 -0.408146D+01 -0.168205D+01  0.604638D+01
                46            47            48            49            50 
      1  -0.614339D+00 -0.544191D+01 -0.841985D+01 -0.806567D+01 -0.467936D+01
      2   0.424816D+01  0.245186D+01  0.113939D+02  0.357959D+01  0.450795D+01
      3  -0.363382D+01  0.299005D+01 -0.297407D+01  0.448608D+01  0.171403D+00
      4   0.642513D+01 -0.527713D+01 -0.670266D+01 -0.604541D+01  0.602057D+01
      5   0.304897D+01 -0.216322D+01 -0.732803D+01 -0.318961D+01  0.469255D+01
      6  -0.406506D+01  0.152462D+02  0.599736D+01  0.120653D+02 -0.302804D+01
                51            52            53            54            55 
      1  -0.157916D+01 -0.779039D+01 -0.401422D+01  0.419352D+01  0.143473D+00
      2   0.363206D+01  0.102104D+02  0.651095D+01 -0.510438D+01  0.379584D+00
      3  -0.205290D+01 -0.242005D+01 -0.249673D+01  0.910862D+00 -0.523057D+00
      4   0.841393D+01 -0.112100D+02  0.984666D+01  0.472638D+01  0.686239D-01
      5   0.490193D+01 -0.363969D+01  0.548250D+01  0.213577D+01 -0.199144D+01
      6  -0.590747D+01  0.700192D+01 -0.716895D+01 -0.458019D+01  0.364648D+01
                56            57            58            59            60 
      1   0.780427D+01  0.101162D+02  0.107102D+02  0.118045D+02  0.259505D+01
      2  -0.168981D+02 -0.145334D+02 -0.155104D+02 -0.241468D+02 -0.864835D+01
      3   0.909380D+01  0.441718D+01  0.480021D+01  0.123423D+02  0.605330D+01
      4  -0.570212D+01  0.309613D+01 -0.218308D+01 -0.111434D+02 -0.918562D+01
      5  -0.117540D+01 -0.284654D+01 -0.238345D+01 -0.375226D+01  0.204620D+01
      6  -0.157170D+02  0.953251D+01 -0.106872D+02 -0.768694D+01 -0.898187D+00
                61            62            63            64            65 
      1   0.105237D+02  0.543879D+01  0.238035D+01 -0.238279D+02 -0.216334D+02
      2  -0.142234D+02 -0.135336D+02 -0.310249D+01  0.195907D+02  0.120905D+02
      3   0.369968D+01  0.809478D+01  0.722144D+00  0.423727D+01  0.954290D+01
      4   0.528488D+01 -0.127885D+02  0.561408D+01 -0.215041D+02  0.303431D+01
      5  -0.326026D+01  0.189005D+01 -0.399228D+01 -0.725896D+01 -0.103948D+02
      6   0.940544D+01 -0.572458D+01  0.487794D+01 -0.291914D+01  0.381954D+01
                66            67            68            69            70 
      1  -0.883220D+01 -0.288523D+02  0.438438D+01 -0.151896D+02 -0.846594D+01
      2   0.737565D+01  0.162817D+02 -0.499577D+01  0.113352D+02  0.592793D+01
      3   0.145655D+01  0.125706D+02  0.611387D+00  0.385440D+01  0.253801D+01
      4  -0.783942D+01 -0.172491D+01  0.985758D+01 -0.502280D+01 -0.978816D+01
      5  -0.784318D+01 -0.133807D+02 -0.781484D+01  0.208199D+02 -0.123900D+02
      6   0.167296D+01  0.176339D+01  0.710422D+01 -0.143896D+02  0.779213D+01
                71            72            73            74            75 
      1  -0.149927D+02  0.425007D+00  0.202766D+01  0.222030D+01 -0.333967D+01
      2   0.115339D+02 -0.667151D+01 -0.357789D+01 -0.200162D+01  0.748049D+00
      3   0.345885D+01  0.624650D+01  0.155023D+01 -0.218677D+00  0.259162D+01
      4  -0.424951D+01  0.211921D+02  0.241721D+01  0.155856D+01 -0.842357D+00
      5   0.214491D+02  0.112390D+02 -0.310272D+01 -0.342164D+00  0.450365D+01
      6  -0.155978D+02 -0.306429D+01 -0.108157D+01  0.323860D+00 -0.108022D+01
                76            77            78            79            80 
      1   0.637093D+00 -0.170211D+01 -0.180167D+01 -0.215565D+01  0.606276D+00
      2   0.819126D+00 -0.126425D+01 -0.603609D+01  0.553421D+01 -0.421043D+01
      3  -0.145622D+01  0.296636D+01  0.783776D+01 -0.337856D+01  0.360415D+01
      4   0.249491D+01 -0.202262D+01 -0.191492D+01 -0.192751D+01 -0.286205D+01
      5   0.194193D+01 -0.188812D+01 -0.597103D+01  0.930821D+01 -0.138447D+01
      6  -0.814294D+00  0.180611D+01  0.374264D+01  0.121876D+01  0.526786D+01
                81            82            83            84            85 
      1  -0.160250D+02  0.411922D+02  0.108017D+02 -0.334579D+01  0.916615D+01
      2  -0.225829D+02 -0.168428D+02 -0.932851D+00  0.314165D+01 -0.592129D-02
      3   0.386079D+02 -0.243494D+02 -0.986886D+01  0.204144D+00 -0.916023D+01
      4   0.240353D+00  0.333078D+02  0.205327D+02 -0.557223D+01  0.180952D+02
      5  -0.215714D+02 -0.164458D+02 -0.773453D+01  0.950417D+01 -0.537430D+01
      6  -0.904989D+01 -0.797491D+01 -0.611789D+01  0.485623D+01 -0.405009D+01
                86            87            88            89            90 
      1   0.428167D+01 -0.133716D+01  0.405289D+01  0.823009D-01  0.219443D+01
      2   0.405824D+01  0.251852D+00 -0.132811D+00  0.835655D+00 -0.388097D+01
      3  -0.833990D+01  0.108531D+01 -0.392008D+01 -0.917956D+00  0.168654D+01
      4   0.141602D+02 -0.242516D+01  0.156215D+01  0.239682D+01  0.327948D+01
      5  -0.288711D+01  0.270421D+01  0.625344D+01  0.167628D+01 -0.309336D+01
      6  -0.383746D+01  0.314706D+01  0.291179D+01  0.161021D+01 -0.917025D+00
                91            92            93            94            95 
      1  -0.175046D+02  0.809997D+01  0.166721D+02  0.149296D+02 -0.117578D+02
      2   0.118013D+02 -0.149491D+02 -0.603375D+01 -0.235179D+02 -0.404596D+01
      3   0.570328D+01  0.684915D+01 -0.106384D+02  0.858839D+01  0.158037D+02
      4   0.862730D+01 -0.938434D+01 -0.118850D+02 -0.124380D+02 -0.163970D+02
      5   0.146332D+02 -0.170733D+02  0.420874D+01 -0.245541D+02 -0.171854D+01
      6  -0.715482D+01  0.410993D+00  0.125731D+02 -0.767332D+00  0.551917D+00
                96            97            98            99           100 
      1  -0.169699D+02  0.143160D+02 -0.139362D+02  0.179425D+02 -0.148201D+02
      2   0.799059D+01 -0.519605D+01  0.300715D+01 -0.445605D+01  0.720922D+00
      3   0.897927D+01 -0.911993D+01  0.109291D+02 -0.134864D+02  0.140992D+02
      4  -0.848901D+01 -0.159046D+02 -0.101016D+02  0.663919D+01  0.121587D+02
      5   0.118291D+02  0.867435D+01  0.568716D+01 -0.457791D+00 -0.214175D+00
      6   0.357381D+01  0.123602D+02  0.201134D+01  0.177989D+01 -0.499898D+00
               101           102           103           104           105 
      1   0.126756D+02 -0.366924D+01  0.156337D+02 -0.175356D+02 -0.153403D+02
      2   0.201975D+01 -0.477560D+01 -0.440980D+00  0.105852D+02  0.545679D+01
      3  -0.146954D+02  0.844484D+01 -0.151927D+02  0.695038D+01  0.988351D+01
      4  -0.197800D+02 -0.112341D+02 -0.255096D+02 -0.286178D+01 -0.822972D+01
      5  -0.889668D+01  0.119375D+02 -0.117825D+02 -0.129472D+02 -0.383532D+01
      6  -0.623195D+01 -0.618346D+01 -0.996600D+01 -0.419472D+01 -0.565082D+01
               106           107           108           109           110 
      1   0.621448D+00 -0.177920D+02  0.181344D+02 -0.234557D+00  0.291345D+01
      2  -0.619670D+01  0.745688D+01 -0.691133D+01 -0.371929D+01  0.480549D+01
      3   0.557525D+01  0.103351D+02 -0.112231D+02  0.395385D+01 -0.771894D+01
      4  -0.164850D+02 -0.383423D+01 -0.237914D+01 -0.760037D+01 -0.543554D+01
      5   0.153185D+02 -0.545271D+01  0.308147D+01 -0.400218D+01 -0.131531D+02
      6  -0.896468D+01 -0.319929D+01  0.808421D+00 -0.787462D+01 -0.106667D+02
               111           112           113           114           115 
      1   0.440176D+01  0.620337D+00  0.322455D+00 -0.946039D+01  0.490325D+01
      2  -0.517181D+01  0.550395D+01  0.268995D+01 -0.576240D+01 -0.578493D+01
      3   0.770042D+00 -0.612428D+01 -0.301240D+01  0.152228D+02  0.881679D+00
      4  -0.839779D+01 -0.800588D+01 -0.316511D+01 -0.685741D+01 -0.732552D+01
      5  -0.258835D+01 -0.133121D+02 -0.868863D+01 -0.533102D+01 -0.458845D+01
      6  -0.114885D+02 -0.957472D+01 -0.491311D+01 -0.539280D+01 -0.773912D+01
               116           117           118           119           120 
      1  -0.949974D+01 -0.312647D+01  0.392039D+01  0.277722D+01  0.187163D+01
      2  -0.523407D+01  0.505529D+01 -0.167944D+01 -0.526995D+01  0.122407D+00
      3   0.147338D+02 -0.192882D+01 -0.224095D+01  0.249273D+01 -0.199403D+01
      4  -0.556448D+01  0.296831D+01 -0.150069D+02  0.131452D+02  0.932738D+01
      5  -0.189973D+01 -0.241321D+01 -0.116384D+02  0.744008D+01  0.109008D+02
      6  -0.318062D+01  0.611001D+01  0.100304D+02 -0.975150D+01 -0.956340D+01
               121           122           123           124           125 
      1   0.368477D+01 -0.974349D+01 -0.587187D+01  0.224386D+01 -0.624745D+01
      2  -0.565492D+01  0.138079D+02  0.435785D+01 -0.423933D+00  0.354369D+01
      3   0.197015D+01 -0.406437D+01  0.151402D+01 -0.181993D+01  0.270376D+01
      4   0.111588D+02 -0.133113D+02 -0.784048D+01  0.846987D+01 -0.829014D+01
      5   0.613415D+01 -0.704338D+01 -0.598461D+01  0.971487D+01 -0.684347D+01
      6  -0.912118D+01  0.146227D+02  0.128711D+02 -0.935416D+01  0.137321D+02
               126           127           128           129           130 
      1  -0.835533D+01 -0.186387D+01 -0.755609D+01 -0.122445D+01 -0.507093D+01
      2  -0.289419D+00  0.827108D+01  0.183776D+02  0.308937D+01  0.123066D+02
      3   0.864474D+01 -0.640722D+01 -0.108215D+02 -0.186492D+01 -0.723565D+01
      4  -0.897665D+01  0.915922D+01  0.152600D+02  0.141127D+01  0.115772D+02
      5  -0.997658D+01  0.597335D+00  0.776441D+00  0.299207D+01  0.598502D-01
      6   0.156806D+02  0.949703D+00  0.276098D+01  0.197826D+01  0.226340D+01
               131           132           133           134           135 
      1  -0.325915D+02 -0.408408D+01 -0.222334D+01 -0.101352D+02 -0.562745D+01
      2   0.628713D+02  0.801560D+01  0.455635D+01  0.188704D+02  0.779267D+01
      3  -0.302798D+02 -0.393153D+01 -0.233301D+01 -0.873520D+01 -0.216521D+01
      4   0.182278D+02  0.311904D+01  0.344217D+01  0.623359D+01  0.262856D+01
      5   0.247417D+01  0.133039D+01  0.248225D+01  0.221606D+01  0.166101D+01
      6   0.718894D+01  0.883885D+01  0.164589D+01  0.113517D+02  0.611338D+01
               136           137           138           139           140 
      1  -0.143270D+00  0.643771D+01 -0.487766D+01  0.244266D+01 -0.974036D+01
      2   0.124475D+01 -0.886957D+01  0.470697D+01 -0.372758D+01  0.145722D+02
      3  -0.110148D+01  0.243186D+01  0.170693D+00  0.128492D+01 -0.483187D+01
      4  -0.105983D+02  0.842080D+01 -0.680826D+01  0.615841D+01 -0.489395D+01
      5   0.688469D+01 -0.305223D+01  0.568330D+01 -0.175895D+01  0.366416D+01
      6  -0.827899D+01  0.981360D+01 -0.105104D+02  0.645017D+01 -0.948296D+01
               141           142           143           144           145 
      1   0.546344D+01 -0.446603D+01  0.981914D+01 -0.105901D+02  0.170771D+01
      2  -0.522945D+01  0.308154D+01 -0.913230D+01  0.354427D+01 -0.527911D+00
      3  -0.233991D+00  0.138449D+01 -0.686844D+00  0.704587D+01 -0.117980D+01
      4   0.491151D+01 -0.781743D+01  0.616713D+01 -0.681894D+01 -0.505682D+00
      5  -0.236448D+01  0.717792D+01 -0.313501D+01  0.535664D+01  0.264478D+01
      6   0.991616D+01 -0.936981D+01  0.154164D+02 -0.199979D+02 -0.211948D+01
               146           147           148           149           150 
      1  -0.264767D+01  0.463263D+01 -0.350261D+01 -0.106348D+02  0.782003D+01
      2   0.172361D+01 -0.233087D+01 -0.114039D+01  0.199731D+02 -0.826314D+01
      3   0.924068D+00 -0.230176D+01  0.464300D+01 -0.933830D+01  0.443114D+00
      4   0.300233D+01 -0.166326D+01  0.121209D+02 -0.258941D+02  0.120047D+02
      5  -0.658822D+00  0.200735D+01 -0.381733D+01  0.131588D+02 -0.144745D+02
      6  -0.127109D+01  0.939665D+00  0.295637D+01 -0.156801D+02  0.140927D+02
               151           152           153           154           155 
      1   0.713687D+01  0.799858D+01 -0.716427D+01  0.632786D+02  0.115690D+02
      2  -0.306088D+01 -0.941534D+01  0.332044D+01 -0.369797D+02 -0.813249D+01
      3  -0.407599D+01  0.141676D+01  0.384383D+01 -0.262990D+02 -0.343646D+01
      4  -0.733258D+01  0.156838D+02 -0.128618D+02  0.336158D+01  0.971624D+01
      5   0.833898D+01 -0.144514D+02  0.144307D+02  0.145775D+02  0.306343D+01
      6  -0.401527D+01  0.151339D+02 -0.138334D+02 -0.892112D+00  0.475339D+00
               156           157           158           159           160 
      1   0.989720D+01  0.301738D+02  0.874331D+01  0.524655D+01  0.137791D+02
      2  -0.731943D+01 -0.179096D+02 -0.502692D+01 -0.457649D+01 -0.965969D+01
      3  -0.257777D+01 -0.122643D+02 -0.371639D+01 -0.670066D+00 -0.411939D+01
      4   0.117518D+01  0.884229D+01  0.100152D+02  0.278069D+01  0.130047D+01
      5   0.122208D+02  0.767439D+01  0.395148D+01  0.525617D+01  0.136114D+02
      6  -0.148146D+01  0.408229D+00  0.492688D+00  0.195628D+01 -0.134237D+01
               161           162           163           164           165 
      1   0.353382D+01  0.722033D+01  0.107863D+02 -0.194836D+01 -0.473959D+01
      2  -0.338608D+01 -0.552961D+01 -0.552405D+01 -0.767937D+00  0.147991D+01
      3  -0.147747D+00 -0.169071D+01 -0.526225D+01  0.271630D+01  0.325968D+01
      4   0.369371D+01 -0.861959D+00 -0.576185D+01  0.657736D+01  0.674543D+01
      5   0.375270D+00  0.617812D+01 -0.671108D+01  0.572708D+01  0.941145D+01
      6   0.323814D+01  0.213657D-01  0.394621D+01 -0.266524D+01 -0.338517D+01
               166           167           168           169           170 
      1  -0.305494D+01 -0.231019D+00  0.196807D+01 -0.133181D+02  0.330878D+01
      2  -0.162019D+01  0.633083D+01  0.143819D+01  0.610690D+01  0.190699D+01
      3   0.467513D+01 -0.609981D+01 -0.340626D+01  0.721120D+01 -0.521577D+01
      4   0.118168D+02 -0.153961D+02 -0.854870D+01  0.147930D+02 -0.149478D+02
      5   0.705800D+01 -0.760685D+01 -0.125115D+02  0.162859D+02 -0.141905D+02
      6  -0.402903D+01  0.614009D+01  0.101426D+02 -0.738981D+01  0.110837D+02
               171           172           173           174           175 
      1   0.159830D+01 -0.508000D+01  0.218189D+01 -0.110693D+02  0.668414D+00
      2  -0.346316D+01 -0.148443D+00 -0.394251D+00 -0.285319D+00  0.120052D+01
      3   0.186487D+01  0.522844D+01 -0.178764D+01  0.113546D+02 -0.186894D+01
      4  -0.144603D+02 -0.294967D+01 -0.527488D+00  0.773138D+00  0.275781D+01
      5  -0.282509D+02  0.172657D+01  0.285943D+01 -0.274544D+01  0.135902D+01
      6   0.152918D+02 -0.106631D+01  0.420343D+01 -0.640320D+01  0.150743D+01
               176           177           178           179           180 
      1  -0.430679D+01  0.760894D+01 -0.103671D+02  0.753435D+01 -0.235605D+02
      2   0.230137D+01 -0.181517D+01  0.254560D+01 -0.135766D+01 -0.829666D+01
      3   0.200542D+01 -0.579377D+01  0.782154D+01 -0.617669D+01  0.318571D+02
      4   0.335047D+01 -0.190406D+01 -0.179914D+01 -0.310302D+01  0.247006D+01
      5  -0.228319D+01  0.199427D+01  0.454164D+01  0.403671D+01 -0.164449D+02
      6  -0.552758D+01  0.822785D+01 -0.251185D+01  0.929086D+01 -0.150540D+02
               181           182           183           184           185 
      1   0.117729D+02  0.572356D+01 -0.387125D+00  0.925178D+01  0.186413D+01
      2  -0.180551D+01  0.394786D+01  0.102832D+01  0.486381D+01  0.195682D+02
      3  -0.996743D+01 -0.967142D+01 -0.641190D+00 -0.141156D+02 -0.214323D+02
      4   0.122805D+02  0.156696D+02  0.216925D+01  0.223753D+02  0.338800D+02
      5  -0.293860D+01  0.183208D+00  0.319592D+01 -0.188583D+01 -0.190130D+01
      6  -0.109405D+01 -0.302016D+01  0.135215D+00 -0.445966D+01 -0.898157D+01
               186           187           188           189           190 
      1   0.287779D+01  0.462693D+01  0.324252D+01 -0.992243D+00  0.460072D+02
      2   0.180006D+01  0.431330D-01  0.371019D+01  0.168489D+01 -0.308344D+02
      3  -0.467784D+01 -0.467006D+01 -0.695271D+01 -0.692643D+00 -0.151727D+02
      4   0.104590D+01  0.799204D+01  0.879943D+01  0.313138D+01 -0.529214D+01
      5   0.626290D+01  0.167184D+01  0.282904D+01  0.365730D+01 -0.290558D+02
      6   0.503450D+01  0.401658D-01  0.217088D+01  0.155228D+01  0.307972D+01
               191           192           193           194           195 
      1  -0.984672D+01 -0.126116D+02 -0.219793D+02  0.864352D+01  0.637570D+01
      2   0.842909D+01  0.123547D+02  0.165222D+02 -0.431955D+01 -0.763394D+01
      3   0.141762D+01  0.256963D+00  0.545705D+01 -0.432396D+01  0.125823D+01
      4   0.102025D+02  0.225801D+01  0.104900D+02 -0.806605D+01 -0.271717D+01
      5   0.671272D+01  0.176692D+02  0.168901D+02 -0.649213D+01 -0.124907D+02
      6  -0.463834D+01 -0.137199D+01 -0.430456D+01  0.495755D+01  0.240754D+01
               196           197           198           199           200 
      1  -0.880956D+01  0.273454D+01  0.404117D+01 -0.530714D+01 -0.507390D+01
      2   0.967127D+01 -0.271177D+01 -0.797812D+01  0.215167D+01  0.152506D+01
      3  -0.861707D+00 -0.227735D-01  0.393695D+01  0.315547D+01  0.354884D+01
      4   0.276388D+01 -0.139596D+01 -0.249051D+01 -0.687030D+00  0.107333D+01
      5   0.143118D+02 -0.447771D+01 -0.119141D+02 -0.254320D+01  0.600602D+00
      6  -0.219098D+01  0.250710D+01  0.487047D+00 -0.181586D+01 -0.216342D+01
               201           202           203           204           205 
      1   0.819083D+01 -0.626947D+01 -0.423599D+01  0.756493D+01  0.796035D+01
      2   0.241589D+01  0.298405D+01  0.133872D+01  0.662124D+00 -0.189076D+01
      3  -0.106067D+02  0.328542D+01  0.289726D+01 -0.822705D+01 -0.606960D+01
      4   0.171465D+01  0.402364D+01 -0.340517D+01  0.439513D+01  0.555309D+00
      5  -0.347974D+01 -0.137884D+01  0.404845D+01 -0.529720D+01  0.389121D+01
      6   0.261035D+01 -0.406236D+00 -0.502553D+01  0.752746D+01  0.229940D+01
               206           207           208           209           210 
      1   0.871313D+01 -0.204219D+02  0.416481D+02 -0.155227D+02  0.334026D+00
      2  -0.100897D+01 -0.884479D+01 -0.172464D+02  0.323825D+01 -0.166376D+01
      3  -0.770416D+01  0.292667D+02 -0.244017D+02  0.122844D+02  0.132973D+01
      4   0.479628D+01 -0.490410D+01 -0.237021D+02  0.191139D+02 -0.291941D-01
      5  -0.416137D+01  0.155968D+02  0.965528D+01 -0.312659D+01  0.750671D+01
      6   0.806446D+01 -0.967837D+01 -0.506670D+01  0.508182D+01 -0.138395D+01
               211           212           213           214           215 
      1  -0.228184D+02  0.119744D+02  0.145229D+01 -0.101894D+02  0.470073D+01
      2   0.632390D+01  0.648429D+00  0.146156D+01  0.368907D+01 -0.131619D+00
      3   0.164945D+02 -0.126228D+02 -0.291384D+01  0.650029D+01 -0.456911D+01
      4   0.239429D+02 -0.205287D+02  0.168289D+01  0.613263D+01 -0.433631D+01
      5  -0.542909D+01  0.476278D+01 -0.619482D+01  0.387000D+01 -0.254885D+01
      6   0.584526D+01 -0.460900D+01  0.380870D+01 -0.536423D+00  0.179633D+01
               216           217           218           219           220 
      1   0.177377D+01  0.170657D+02  0.615925D+01  0.551821D+01  0.138744D+02
      2  -0.899592D+00 -0.970207D+01 -0.468849D+01 -0.491960D+01 -0.909854D+01
      3  -0.874181D+00 -0.736359D+01 -0.147076D+01 -0.598609D+00 -0.477581D+01
      4  -0.361877D+01  0.934622D+01  0.126509D+02  0.567575D+01  0.175516D+02
      5  -0.251363D+01  0.121263D+02  0.774410D+01  0.869607D+01  0.152066D+02
      6   0.139989D+00  0.463113D+01  0.539587D+01  0.401022D+01  0.828444D+01
               221           222           223           224           225 
      1   0.713313D+01  0.409647D+01  0.450304D+01  0.267607D+01 -0.239864D+00
      2  -0.230142D+01 -0.641866D+01 -0.526329D+01 -0.373828D+01 -0.517311D+01
      3  -0.483170D+01  0.232218D+01  0.760249D+00  0.106221D+01  0.541297D+01
      4   0.208250D+02  0.898932D+01  0.612414D+01  0.614426D+01  0.642580D+01
      5   0.113775D+02  0.146210D+02  0.935075D+01  0.794457D+01  0.109604D+02
      6   0.121982D+02  0.838253D+01  0.478584D+01  0.655790D+01  0.496691D+01
               226           227           228           229           230 
      1  -0.623562D+00 -0.303506D+00  0.201856D+01 -0.976678D+00 -0.447198D+01
      2  -0.212970D+01 -0.148215D+01  0.217995D+01 -0.220668D-01 -0.306096D+01
      3   0.275326D+01  0.178565D+01 -0.419851D+01  0.998744D+00  0.753294D+01
      4   0.630736D+00  0.204176D+01  0.319079D+00  0.295686D+01 -0.228182D+01
      5  -0.135587D+01 -0.102461D+01  0.478014D+01 -0.273170D+01  0.268171D+01
      6  -0.113568D+01  0.248063D-02  0.794111D+00  0.333622D+00 -0.807220D+01
               231           232           233           234           235 
      1   0.850165D+01  0.912063D+00  0.557011D+01 -0.163221D+02  0.846015D+01
      2   0.782620D+01  0.572458D+00  0.532693D+01 -0.172892D+02 -0.606166D+01
      3  -0.163278D+02 -0.148452D+01 -0.108970D+02  0.336113D+02 -0.239850D+01
      4   0.295139D+01 -0.682717D-01  0.175556D+01 -0.200996D+01  0.138715D+02
      5  -0.405463D+01  0.628814D+01 -0.101626D+01  0.610135D+01  0.178319D+02
      6   0.989336D+01  0.162351D+01  0.843591D+01 -0.689262D+01  0.103326D+02
               236           237           238           239           240 
      1   0.616854D+00 -0.214468D+00  0.388551D+00 -0.530767D+01 -0.356427D+01
      2  -0.788219D+00 -0.504152D+01 -0.157497D+00  0.579511D+01 -0.783373D-01
      3   0.171365D+00  0.525599D+01 -0.231054D+00 -0.487441D+00  0.364260D+01
      4   0.119813D+02  0.841942D+01  0.122543D+02  0.132572D+02  0.833907D+01
      5   0.109213D+02  0.150758D+02  0.117314D+02  0.101423D+02  0.100615D+02
      6   0.957621D+01  0.983016D+01  0.102458D+02  0.145706D+02  0.128254D+02
               241           242           243 
      1  -0.154012D+01 -0.264966D+01 -0.477735D+01
      2  -0.294897D+01  0.674231D-02 -0.505824D+01
      3   0.448908D+01  0.264292D+01  0.983560D+01
      4   0.565179D+01  0.508136D+01  0.589673D+01
      5   0.102012D+02  0.678800D+01  0.114386D+02
      6   0.734137D+01  0.904481D+01  0.955140D+01
 Leave Link  716 at Fri Jul 16 21:59:05 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128045D+03  0.262455D+00 -0.454864D+00
      2   0.262455D+00  0.117584D+03  0.706073D+00
      3  -0.454864D+00  0.706073D+00  0.108374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.169126D+01  0.825694D+01 -0.129803D+02
      2  -0.765127D+01 -0.822679D-01 -0.383090D+01
      3   0.164224D+02 -0.392922D+01 -0.228793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.120497D+01 -0.204366D+02  0.262494D+00
      2   0.832217D+01  0.309065D+02 -0.249121D+02
      3  -0.711720D+01 -0.104699D+02  0.246496D+02
      4   0.738008D+01  0.102429D+02  0.277522D+01
      5   0.131585D+02  0.210159D+01 -0.134026D+02
      6   0.183051D+01 -0.956329D+01  0.160703D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424706D+01  0.328522D+01  0.679924D+00  0.338998D+01 -0.615030D+00
      2   0.328522D+01 -0.303184D+00  0.105778D+01 -0.615030D+00 -0.409986D+01
      3   0.679924D+00  0.105778D+01  0.211808D+01  0.130322D+01  0.111795D+01
                 6             7             8             9            10 
      1   0.130322D+01  0.203568D+01  0.212741D+01  0.133718D+01 -0.450529D+01
      2   0.111795D+01  0.212741D+01  0.205512D+01 -0.350201D+01 -0.450284D+01
      3  -0.353337D+01  0.133718D+01 -0.350201D+01 -0.147547D+01 -0.165883D+00
                11            12            13            14            15 
      1  -0.450284D+01 -0.165883D+00 -0.380126D+01  0.249568D+00  0.346402D+00
      2  -0.729980D+00  0.515274D+00  0.249568D+00  0.217802D+01 -0.149040D+01
      3   0.515274D+00  0.631848D+00  0.346402D+00 -0.149040D+01  0.261032D+01
                16            17            18            19            20 
      1  -0.179095D+01 -0.909197D-01 -0.629144D+00 -0.754264D+00 -0.145300D+01
      2  -0.909197D-01 -0.298063D+01  0.256820D+01 -0.145300D+01  0.222684D+01
      3  -0.629144D+00  0.256820D+01  0.423679D+01 -0.839513D+00  0.471130D+00
                21            22            23            24            25 
      1  -0.839513D+00 -0.460974D+01  0.201230D+01  0.383323D+00 -0.233458D+01
      2   0.471130D+00  0.201230D+01  0.459272D+01  0.210100D+01  0.490932D+00
      3  -0.496366D+00  0.383323D+00  0.210100D+01  0.632977D+00 -0.966335D+00
                26            27            28            29            30 
      1   0.490932D+00 -0.966335D+00 -0.191714D+00 -0.213949D+01 -0.980404D+00
      2   0.245144D+01  0.172398D+01 -0.213949D+01 -0.356946D+00 -0.110677D+00
      3   0.172398D+01  0.878981D+00 -0.980404D+00 -0.110677D+00 -0.133280D+00
                31            32            33            34            35 
      1  -0.814895D+00 -0.521303D+00 -0.104096D+00 -0.618054D+00 -0.265287D+00
      2  -0.521303D+00 -0.117539D+02 -0.360935D+01 -0.265287D+00 -0.360360D+01
      3  -0.104096D+00 -0.360935D+01 -0.225202D+01  0.150769D+00 -0.385137D+01
                36            37            38            39            40 
      1   0.150769D+00 -0.321658D+01  0.832128D+00  0.567676D+00  0.242364D+01
      2  -0.385137D+01  0.832128D+00 -0.224449D+01 -0.249011D+01 -0.357496D+01
      3  -0.381784D+01  0.567676D+00 -0.249011D+01  0.228964D+01 -0.386379D+01
                41            42            43            44            45 
      1  -0.357496D+01 -0.386379D+01  0.104731D+01 -0.350148D+01  0.313783D+01
      2  -0.120809D+01 -0.894496D+00 -0.350148D+01 -0.172485D+01  0.206197D+00
      3  -0.894496D+00  0.990965D+00  0.313783D+01  0.206197D+00 -0.313639D+00
                46            47            48            49            50 
      1   0.144678D+01  0.408483D+00 -0.178013D+01  0.308268D+00  0.309623D+01
      2   0.408483D+00  0.211610D+01  0.389074D+01  0.309623D+01  0.597184D+00
      3  -0.178013D+01  0.389074D+01 -0.446830D+00  0.460058D+01 -0.103936D+00
                51            52            53            54            55 
      1   0.460058D+01 -0.142078D+01  0.440268D+01  0.145214D+00  0.207329D+00
      2  -0.103936D+00  0.440268D+01  0.718034D+00 -0.201516D+01  0.106935D+00
      3  -0.992128D+00  0.145214D+00 -0.201516D+01 -0.309222D+00  0.105208D+01
                56            57            58            59            60 
      1   0.106935D+00  0.105208D+01  0.908141D+00 -0.211609D+01 -0.262563D+01
      2  -0.217527D+01 -0.310464D+01 -0.211609D+01 -0.345633D+01 -0.111960D+01
      3  -0.310464D+01  0.169033D+01 -0.262563D+01 -0.111960D+01  0.134696D+00
                61            62            63            64            65 
      1   0.992509D+00 -0.322861D+01  0.230289D+01 -0.272624D+01 -0.356823D+01
      2  -0.322861D+01 -0.164830D+01 -0.101301D+01 -0.356823D+01  0.478475D-01
      3   0.230289D+01 -0.101301D+01  0.507777D+00 -0.810433D+00 -0.145215D+01
                66            67            68            69            70 
      1  -0.810433D+00 -0.367646D+01 -0.907623D+00 -0.157669D+01 -0.495602D+00
      2  -0.145215D+01 -0.907623D+00  0.255518D+01 -0.173192D+01 -0.177648D+01
      3  -0.134229D+01 -0.157669D+01 -0.173192D+01  0.409742D+01 -0.199817D+01
                71            72            73            74            75 
      1  -0.177648D+01 -0.199817D+01  0.487106D+00  0.261745D+00 -0.829131D+00
      2  -0.185648D+01  0.409966D+01  0.261745D+00 -0.162606D+00 -0.654344D-02
      3   0.409966D+01  0.179849D+01 -0.829131D+00 -0.654344D-02 -0.380038D+00
                76            77            78            79            80 
      1  -0.110919D+00  0.255811D+00  0.374696D+00 -0.150795D+01  0.533400D-01
      2   0.255811D+00 -0.685585D+00 -0.787757D+00  0.533400D-01 -0.113690D+01
      3   0.374696D+00 -0.787757D+00 -0.195414D+01  0.115101D+01 -0.397839D+00
                81            82            83            84            85 
      1   0.115101D+01  0.863979D+01  0.334788D+01 -0.118452D+01  0.270684D+01
      2  -0.397839D+00  0.334788D+01  0.282494D+01 -0.719472D+00  0.180598D+01
      3  -0.792944D+01 -0.118452D+01 -0.719472D+00  0.119497D+01 -0.492782D+00
                86            87            88            89            90 
      1   0.180598D+01 -0.492782D+00  0.686184D+00  0.220461D+00  0.961083D+00
      2   0.196907D+01 -0.215927D+00  0.220461D+00  0.721575D+00  0.262354D+00
      3  -0.215927D+00  0.352464D+00  0.961083D+00  0.262354D+00 -0.597570D+00
                91            92            93            94            95 
      1   0.300598D+01 -0.174178D+01 -0.146341D+01 -0.298033D+01  0.327122D+01
      2  -0.174178D+01  0.201212D+01  0.302013D+01  0.327122D+01  0.305962D+01
      3  -0.146341D+01  0.302013D+01 -0.282891D+01  0.389963D+01  0.975431D+00
                96            97            98            99           100 
      1   0.389963D+01 -0.511557D+00  0.315389D+01 -0.311592D+01  0.268094D+01
      2   0.975431D+00  0.315389D+01  0.190691D+01  0.917860D-01 -0.164355D+01
      3  -0.871633D+00 -0.311592D+01  0.917860D-01 -0.166560D+01 -0.296630D+00
               101           102           103           104           105 
      1  -0.164355D+01 -0.296630D+00 -0.162944D+01  0.414754D+01  0.301883D+01
      2   0.299529D+01  0.241525D+01  0.414754D+01  0.111741D+01  0.183484D+01
      3   0.241525D+01 -0.321655D+01  0.301883D+01  0.183484D+01 -0.492288D+00
               106           107           108           109           110 
      1  -0.119808D+01  0.336811D+01 -0.305724D+01 -0.866149D+00 -0.297721D+01
      2   0.336811D+01  0.129356D+01 -0.484580D+00 -0.297721D+01 -0.167951D+01
      3  -0.305724D+01 -0.484580D+00  0.137650D+01 -0.874905D-01 -0.400902D+01
               111           112           113           114           115 
      1  -0.874905D-01 -0.307519D+01 -0.175071D+01 -0.387347D+01  0.399405D+00
      2  -0.400902D+01 -0.175071D+01  0.352530D+00 -0.220024D+01 -0.366258D+01
      3  -0.518170D+00 -0.387347D+01 -0.220024D+01  0.299178D+01 -0.953929D+00
               116           117           118           119           120 
      1  -0.366258D+01 -0.953929D+00 -0.399824D+01  0.195977D+01  0.214783D+01
      2  -0.114112D+01  0.343956D+01  0.195977D+01 -0.249256D+01 -0.159445D+01
      3   0.343956D+01 -0.131154D+01  0.214783D+01 -0.159445D+01 -0.192469D+01
               121           122           123           124           125 
      1   0.172760D+01 -0.220569D+01 -0.156529D+01  0.200272D+01 -0.167283D+01
      2  -0.220569D+01  0.384938D+01  0.186469D+01 -0.167283D+01  0.207486D+01
      3  -0.156529D+01  0.186469D+01  0.197026D+01 -0.196352D+01  0.226126D+01
               126           127           128           129           130 
      1  -0.196352D+01  0.144262D+01  0.176435D+01  0.881300D-01  0.160534D+01
      2   0.226126D+01  0.176435D+01  0.296339D+01  0.579520D+00  0.206061D+01
      3   0.339766D+01  0.881300D-01  0.579520D+00  0.278234D+00  0.377024D+00
               131           132           133           134           135 
      1   0.206061D+01  0.377024D+00  0.583237D+00  0.941311D+00  0.179698D+00
      2   0.919828D+01  0.114898D+01  0.941311D+00  0.293302D+01  0.147985D+01
      3   0.114898D+01  0.112332D+01  0.179698D+00  0.147985D+01  0.879803D+00
               136           137           138           139           140 
      1  -0.282987D+01  0.114252D+01 -0.168442D+01  0.632502D+00 -0.100241D+01
      2   0.114252D+01 -0.193109D+01  0.147914D+01 -0.100241D+01  0.271675D+01
      3  -0.168442D+01  0.147914D+01 -0.199229D+01  0.811102D+00 -0.131728D+01
               141           142           143           144           145 
      1   0.811102D+00 -0.209569D+01  0.120327D+01 -0.181363D+01  0.637267D-01
      2  -0.131728D+01  0.120327D+01 -0.228320D+01  0.217128D+01 -0.294687D+00
      3   0.131619D+01 -0.181363D+01  0.217128D+01 -0.369619D+01  0.582613D+00
               146           147           148           149           150 
      1  -0.294687D+00  0.582613D+00 -0.128438D+01  0.148344D+01 -0.445359D+00
      2  -0.354408D+00  0.217549D+00  0.148344D+01 -0.540814D+01  0.264116D+01
      3   0.217549D+00 -0.147280D+00 -0.445359D+00  0.264116D+01 -0.269662D+01
               151           152           153           154           155 
      1   0.163923D+01 -0.832878D+00  0.987121D+00  0.825896D+01  0.149715D+01
      2  -0.832878D+00  0.331758D+01 -0.280914D+01  0.149715D+01  0.134015D+01
      3   0.987121D+00 -0.280914D+01  0.291160D+01  0.144636D+01  0.351461D+00
               156           157           158           159           160 
      1   0.144636D+01  0.442694D+01  0.135999D+01  0.807304D+00  0.194618D+01
      2   0.351461D+00  0.135999D+01  0.144827D+01  0.501826D+00  0.420136D+00
      3   0.134354D+01  0.807304D+00  0.501826D+00  0.541123D+00  0.159342D+01
               161           162           163           164           165 
      1   0.420136D+00  0.159342D+01  0.169403D+01 -0.541950D+00 -0.110408D+01
      2   0.648732D+00 -0.147497D+00 -0.541950D+00  0.699619D+00  0.783606D+00
      3  -0.147497D+00  0.699090D+00 -0.110408D+01  0.783606D+00  0.109188D+01
               166           167           168           169           170 
      1  -0.117553D+01  0.147031D+01  0.101173D+01 -0.322393D+01  0.185441D+01
      2   0.147031D+01 -0.257828D+01 -0.132578D+01  0.185441D+01 -0.237126D+01
      3   0.101173D+01 -0.132578D+01 -0.210731D+01  0.223555D+01 -0.243604D+01
               171           172           173           174           175 
      1   0.223555D+01  0.155150D+01  0.262127D+00  0.101378D+01  0.587407D-01
      2  -0.243604D+01  0.262127D+00  0.703430D+00 -0.898086D+00 -0.331399D-01
      3  -0.476602D+01  0.101378D+01 -0.898086D+00  0.234699D+01 -0.519189D+00
               176           177           178           179           180 
      1  -0.331399D-01 -0.519189D+00  0.174247D+01 -0.205326D+00  0.911675D+00
      2  -0.118646D+01  0.105670D+01 -0.205326D+00  0.128308D+01 -0.154974D+01
      3   0.105670D+01 -0.120342D+01  0.911675D+00 -0.154974D+01  0.617380D+01
               181           182           183           184           185 
      1  -0.237277D+01 -0.161244D+01  0.139460D-02 -0.281703D+01 -0.323852D+01
      2  -0.161244D+01 -0.207517D+01 -0.367002D+00 -0.323852D+01 -0.622903D+01
      3   0.139460D-02 -0.367002D+00 -0.172857D+00 -0.132897D+00 -0.929696D-01
               186           187           188           189           190 
      1  -0.132897D+00 -0.132702D+01 -0.115887D+01 -0.985044D-01 -0.735888D+01
      2  -0.929696D-01 -0.115887D+01 -0.158754D+01 -0.655324D+00  0.151437D+01
      3  -0.128353D+01 -0.985044D-01 -0.655324D+00 -0.584337D+00  0.256909D+01
               191           192           193           194           195 
      1   0.151437D+01  0.256909D+01  0.403770D+01 -0.191227D+01 -0.185897D+01
      2  -0.163755D+01 -0.649070D+00 -0.191227D+01  0.136121D+01  0.608051D+00
      3  -0.649070D+00 -0.182407D+01 -0.185897D+01  0.608051D+00  0.169431D+01
               196           197           198           199           200 
      1   0.162610D+01 -0.717311D+00 -0.134343D+01  0.149458D+01  0.822236D+00
      2  -0.717311D+00  0.237392D+00  0.475506D+00  0.822236D+00  0.549014D+00
      3  -0.134343D+01  0.475506D+00  0.167555D+01 -0.619280D+00 -0.720665D+00
               201           202           203           204           205 
      1  -0.619280D+00  0.115299D+01  0.577376D-01 -0.291926D+00 -0.130783D+01
      2  -0.720665D+00  0.577376D-01  0.123033D+01 -0.133424D+01 -0.602691D+00
      3   0.228143D+01 -0.291926D+00 -0.133424D+01  0.173008D+01  0.663277D+00
               206           207           208           209           210 
      1  -0.602691D+00  0.663277D+00 -0.663207D+01  0.277927D+01 -0.313826D+00
      2  -0.158005D+01  0.167229D+01  0.277927D+01 -0.249066D+01 -0.723819D-01
      3   0.167229D+01 -0.562485D+01 -0.313826D+00 -0.723819D-01 -0.884945D+00
               211           212           213           214           215 
      1   0.408878D+01 -0.306322D+01  0.345729D-01  0.181199D+01 -0.915110D+00
      2  -0.306322D+01  0.292380D+01 -0.357646D+00 -0.915110D+00  0.577827D+00
      3   0.345729D-01 -0.357646D+00  0.101808D+01 -0.465387D+00  0.513341D+00
               216           217           218           219           220 
      1  -0.465387D+00 -0.320161D+01 -0.149513D+01 -0.127867D+01 -0.343137D+01
      2   0.513341D+00 -0.149513D+01 -0.184515D+01 -0.101799D+01 -0.266940D+01
      3   0.351215D+00 -0.127867D+01 -0.101799D+01 -0.886232D+00 -0.199692D+01
               221           222           223           224           225 
      1  -0.266940D+01 -0.199692D+01 -0.115903D+01 -0.109564D+01 -0.101388D+01
      2  -0.378272D+01 -0.166741D+01 -0.109564D+01 -0.121216D+01 -0.114552D+01
      3  -0.166741D+01 -0.230737D+01 -0.101388D+01 -0.114552D+01 -0.189962D+01
               226           227           228           229           230 
      1  -0.964334D+00 -0.392384D+00  0.949827D+00 -0.828676D+00  0.443493D-01
      2  -0.392384D+00 -0.155218D+00  0.607905D+00  0.443493D-01 -0.223495D+01
      3   0.949827D+00  0.607905D+00 -0.557884D+00  0.422188D+00  0.227272D+01
               231           232           233           234           235 
      1   0.422188D+00  0.118021D+01  0.363067D+00 -0.101258D+00  0.439762D+01
      2   0.227272D+01  0.363067D+00  0.157723D+01 -0.212543D+01  0.237850D+01
      3  -0.350426D+01 -0.101258D+00 -0.212543D+01  0.621170D+01  0.233913D+01
               236           237           238           239           240 
      1   0.237850D+01  0.233913D+01  0.276777D+01  0.229528D+01  0.195640D+01
      2   0.215504D+01  0.182278D+01  0.229528D+01  0.347360D+01  0.212561D+01
      3   0.182278D+01  0.248574D+01  0.195640D+01  0.212561D+01  0.199410D+01
               241           242           243 
      1   0.129782D+01  0.112699D+01  0.176364D+01
      2   0.112699D+01  0.132971D+01  0.116738D+01
      3   0.176364D+01  0.116738D+01  0.289239D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.569241D+00  0.272766D+01  0.168230D+00  0.509747D+00  0.218408D+01
      2  -0.321122D+01 -0.219628D+00  0.118435D+02  0.142741D+01  0.202500D+01
      3  -0.492488D+01 -0.681989D+01  0.349909D+00  0.336565D+01  0.544438D+01
                 6             7             8             9            10 
      1  -0.444966D+01  0.156720D+01  0.193034D+01 -0.255094D+00  0.548225D+01
      2  -0.565093D+01 -0.205135D+00 -0.936415D+01 -0.384457D+01 -0.193348D+01
      3  -0.199399D+01 -0.345103D+01 -0.714731D+01  0.447812D+01  0.863183D+01
                11            12            13            14            15 
      1  -0.152145D+01 -0.176850D+01 -0.148210D+01  0.139312D+01 -0.147731D+01
      2  -0.224336D+00  0.296791D+01 -0.405383D+01 -0.138725D+01  0.584355D+01
      3  -0.442197D+01 -0.158972D+01 -0.213143D+01 -0.351192D+01  0.297696D+01
                16            17            18            19            20 
      1  -0.786965D+00  0.410649D+01 -0.860122D+01  0.380256D-02 -0.130886D+01
      2  -0.404065D+01  0.793819D+01  0.111083D+02  0.255977D+01  0.419648D+01
      3  -0.485983D+00  0.780614D+01 -0.467771D+01  0.255837D+01  0.459539D+00
                21            22            23            24            25 
      1  -0.141628D+01  0.120236D+01 -0.720107D+01  0.619584D+01 -0.970658D+00
      2  -0.697702D+01  0.110828D+02 -0.126732D+01  0.309197D+01 -0.206442D+02
      3  -0.320983D+01  0.597294D+01 -0.355735D+01  0.919233D+00 -0.991525D+01
                26            27            28            29            30 
      1   0.975770D+01  0.899109D+01 -0.266188D+00  0.731817D+00 -0.224131D+00
      2   0.395356D+01  0.218429D+01 -0.144717D+01 -0.155887D+01  0.341603D+01
      3   0.731280D+00 -0.855232D+00 -0.366744D+00  0.468911D+00  0.195400D+01
                31            32            33            34            35 
      1  -0.463398D+00  0.390510D+01 -0.100464D+02 -0.106709D+00 -0.155569D+00
      2  -0.949541D+01  0.278805D+00  0.180051D+01  0.807012D+00 -0.305505D-01
      3   0.128513D+02  0.260691D+01  0.142696D+01  0.970524D+01  0.752480D+00
                36            37            38            39            40 
      1  -0.691206D+01  0.796967D+00 -0.242337D+01  0.309893D+01 -0.762879D+00
      2   0.468457D+00  0.159199D+01  0.274627D+01  0.157707D+01  0.614048D+01
      3   0.108406D+01 -0.162939D+01 -0.116028D+02 -0.434182D+01 -0.184002D+01
                41            42            43            44            45 
      1  -0.153367D+01 -0.620576D+01  0.199507D+01  0.291512D+01 -0.386987D+00
      2   0.402029D+01 -0.505168D+01 -0.776545D+01  0.504207D+00 -0.195199D+01
      3  -0.742829D+00 -0.449601D+01 -0.611468D+01 -0.157924D+01  0.547875D+00
                46            47            48            49            50 
      1   0.365218D+01 -0.459732D+01  0.527741D+01 -0.541645D+01  0.446224D+00
      2   0.178855D+01 -0.196324D+01  0.494330D+01 -0.417195D+01 -0.107683D+01
      3  -0.263143D+01 -0.185725D+01 -0.471041D+00  0.463484D+01  0.463980D+01
                51            52            53            54            55 
      1  -0.150890D-01  0.551719D+01  0.737363D+01 -0.607299D+00 -0.453288D+01
      2  -0.348960D+01 -0.220919D+01 -0.458307D+01 -0.383346D+00 -0.954081D+00
      3   0.582794D+01  0.425209D+00  0.564854D+01 -0.194622D+01  0.873832D+00
                56            57            58            59            60 
      1   0.115215D+02 -0.467874D+01  0.105362D+02  0.575554D+01 -0.218797D+01
      2   0.436129D+00  0.292751D+01  0.673327D+00 -0.117840D+01 -0.165817D+01
      3  -0.184455D+01  0.324177D+01  0.591553D+01 -0.589167D+01 -0.862966D+01
                61            62            63            64            65 
      1  -0.632453D+01  0.558746D+01 -0.242065D+01 -0.710052D+00 -0.248041D+01
      2  -0.666923D+00 -0.222665D+01  0.238724D+01 -0.944424D+00 -0.388991D+01
      3   0.353491D+01 -0.104489D+02  0.778274D+01  0.144822D+02  0.226965D+01
                66            67            68            69            70 
      1  -0.184371D+01 -0.255867D+01 -0.205135D+01  0.417658D+01 -0.510675D+01
      2  -0.141729D+01 -0.535108D+01 -0.466065D+01  0.120194D+02 -0.929415D+01
      3   0.573804D+01  0.106695D+02 -0.770527D+01  0.748515D+01  0.597228D+01
                71            72            73            74            75 
      1   0.848072D+01  0.309655D+01  0.592751D+00  0.753102D+00  0.548970D+00
      2   0.125444D+02  0.539409D+01 -0.222704D+01 -0.113342D+00 -0.110241D+01
      3   0.705885D+01 -0.103548D+02 -0.778611D+00 -0.119064D+00 -0.618390D+00
                76            77            78            79            80 
      1  -0.120123D+00  0.289359D+01  0.173970D+01 -0.140364D+01  0.520743D+01
      2  -0.620160D+00 -0.150904D+01 -0.367241D+01 -0.292137D+01 -0.835268D+00
      3   0.445210D+00  0.198139D+01  0.114377D+01 -0.114586D+01  0.231934D+01
                81            82            83            84            85 
      1   0.950430D+01 -0.157131D+01 -0.221206D+01 -0.159952D+01 -0.131719D+01
      2  -0.136088D+02  0.537740D+01 -0.390104D+00  0.434334D+01  0.279814D+01
      3   0.189955D+01  0.328872D+01 -0.604297D+01  0.704199D+00  0.172383D+01
                86            87            88            89            90 
      1  -0.152771D+01 -0.137998D+01 -0.695212D+00 -0.194787D+00  0.468617D+00
      2   0.134322D+01  0.612413D+00  0.557889D+00 -0.811154D+00 -0.624323D+00
      3  -0.230094D+01 -0.541145D+00  0.153653D+00 -0.204898D+01  0.307063D+00
                91            92            93            94            95 
      1  -0.339632D+01  0.638482D+01  0.373512D+00  0.820297D+01  0.749988D+01
      2   0.458304D+00 -0.587468D+01  0.107939D+02 -0.901851D+01 -0.676272D+01
      3  -0.654350D+01  0.433333D+01  0.916299D+01  0.106811D+02  0.623317D+01
                96            97            98            99           100 
      1  -0.440918D+00  0.126119D+01  0.472819D+01 -0.373134D+01  0.101398D+01
      2  -0.131721D+01  0.764676D+01 -0.477426D+01  0.111485D+02  0.367377D+01
      3   0.961686D+00  0.100083D+02  0.148048D+01  0.310213D+01 -0.297195D+01
               101           102           103           104           105 
      1  -0.412389D+01 -0.405061D+01 -0.678669D+01 -0.211147D+01 -0.540009D+01
      2  -0.810703D+01  0.103313D+02 -0.863790D+01 -0.164774D+01  0.566947D+01
      3   0.596055D+01  0.678104D+01  0.136597D+02  0.351504D+01  0.667869D+01
               106           107           108           109           110 
      1  -0.504469D+01 -0.118549D+01  0.210657D+00 -0.634427D+01 -0.580792D-01
      2   0.611370D+01  0.512653D+01 -0.872833D+01 -0.336872D+01 -0.494174D+00
      3   0.103024D+02  0.432589D+01 -0.234393D+01  0.327748D+01 -0.417820D+01
               111           112           113           114           115 
      1  -0.792338D+01 -0.623572D+00 -0.769363D+00 -0.100918D+02 -0.630385D+01
      2  -0.721897D+00  0.117082D+01 -0.214411D+01  0.100543D+02 -0.464172D+01
      3   0.244714D+01  0.123447D+01 -0.360515D+01 -0.107230D-01  0.356520D+01
               116           117           118           119           120 
      1  -0.287039D+01  0.593168D+01 -0.152505D+01 -0.930751D+00  0.230599D+01
      2   0.100373D+02 -0.242226D+01  0.329723D+01 -0.799407D+00  0.123262D+01
      3  -0.401352D+00 -0.374026D+01 -0.583058D+01 -0.143603D+01  0.196323D+01
               121           122           123           124           125 
      1   0.487461D+00  0.145381D+01 -0.316774D+01  0.128189D+01  0.521085D+00
      2  -0.118888D+01  0.903417D+00 -0.109469D+01 -0.311152D+01  0.324755D+00
      3   0.324994D+01  0.955784D-01 -0.123597D+01  0.313366D+01  0.835877D-01
               126           127           128           129           130 
      1  -0.375716D+01 -0.752499D+00 -0.344310D+01 -0.173784D+01 -0.217009D+01
      2  -0.999449D+00  0.470138D+00  0.520258D+00  0.146861D+01  0.418172D+00
      3  -0.129566D+01  0.416266D+01  0.210754D+01  0.218537D+00  0.626063D+01
               131           132           133           134           135 
      1  -0.692683D+01 -0.646291D+01 -0.433958D+00 -0.364959D+01 -0.397689D+01
      2   0.104295D+01  0.110216D+01 -0.327542D+00  0.616373D+00 -0.146506D+00
      3   0.286148D+01  0.920798D+00  0.222029D+01  0.164730D+01 -0.158137D+00
               136           137           138           139           140 
      1   0.487457D+01 -0.177757D+01  0.595146D+01 -0.133549D+01  0.182093D+01
      2  -0.363997D+01  0.383676D+00 -0.777993D+00  0.662150D+00 -0.116110D+01
      3  -0.994754D+01  0.112550D+01 -0.459467D+01  0.271332D+01 -0.210342D+01
               141           142           143           144           145 
      1  -0.334879D+01  0.510619D+01 -0.182906D+01  0.958294D+01  0.702118D+00
      2   0.611861D-01 -0.487571D+01  0.995360D+00 -0.155249D+01  0.178635D+01
      3   0.262743D+01 -0.743762D+01  0.323456D+01 -0.542759D+01  0.116478D+01
               146           147           148           149           150 
      1  -0.569169D-01 -0.437033D+00 -0.353622D+00  0.162000D+01 -0.543442D+01
      2   0.134290D+00 -0.583693D-01  0.610632D-01  0.701249D+01 -0.800386D+01
      3   0.312435D+00 -0.132192D+01  0.123307D-01  0.139144D+02 -0.740168D+01
               151           152           153           154           155 
      1   0.684640D+00 -0.136650D+01  0.436540D+01  0.194316D+01  0.135206D+01
      2  -0.642414D-01 -0.742367D+01  0.802017D+01  0.225283D+01  0.878378D+00
      3  -0.112322D+01 -0.914416D+01  0.726655D+01 -0.123179D+02 -0.860127D+01
               156           157           158           159           160 
      1   0.105217D+01  0.112427D+01  0.127945D+01 -0.376708D+00  0.159688D+01
      2   0.595454D+01  0.154281D+01  0.115155D+01  0.250605D+01  0.251654D+01
      3  -0.280720D+01 -0.641031D+01 -0.719955D+01 -0.222773D+01 -0.343822D+01
               161           162           163           164           165 
      1   0.981930D+00  0.464568D+00 -0.169414D+01  0.106664D+01  0.194796D+01
      2  -0.552056D+00  0.209587D+01 -0.343528D+01  0.275670D+01  0.424640D+01
      3  -0.316562D+01 -0.985072D+00  0.334966D+00 -0.211551D+01 -0.861164D+00
               166           167           168           169           170 
      1   0.166111D+01 -0.138340D+01 -0.463772D+01  0.307851D+01 -0.150271D+01
      2   0.238312D+01 -0.388515D+01 -0.697404D+01  0.377392D+01 -0.696501D+01
      3  -0.828441D+00  0.594120D+01  0.274629D+01 -0.256295D+00  0.591172D+01
               171           172           173           174           175 
      1  -0.782116D+01  0.257303D+01  0.135362D+01  0.180027D+01 -0.359238D+00
      2  -0.146391D+02 -0.848020D+01  0.844275D+00 -0.689752D+01  0.154732D+01
      3   0.509319D+01 -0.320790D+01  0.456813D+00 -0.337188D+01  0.106493D+01
               176           177           178           179           180 
      1  -0.104972D+01 -0.800240D+00  0.134000D+01  0.260367D+01  0.469446D+01
      2  -0.231929D+01  0.325097D+01 -0.917787D+01  0.342362D+01 -0.159981D+02
      3  -0.228226D+01  0.263312D+01 -0.359656D+01  0.269131D+01 -0.522224D+01
               181           182           183           184           185 
      1  -0.257843D+01 -0.335729D+01 -0.120526D+01 -0.445713D+01 -0.883230D+01
      2   0.274691D+01  0.275785D+01  0.126489D+01  0.351208D+01  0.458767D+01
      3  -0.134731D+01 -0.473315D+01 -0.758583D+00 -0.252172D+01 -0.133752D+02
               186           187           188           189           190 
      1  -0.460669D+01 -0.876404D+00 -0.202404D+01 -0.280234D+01  0.387370D+01
      2   0.479686D+01 -0.949594D-01  0.265348D+01  0.222474D+01  0.240077D+01
      3  -0.491379D+00 -0.486871D+00 -0.348016D+01 -0.198246D+01  0.766458D+01
               191           192           193           194           195 
      1  -0.395421D+01 -0.164381D+01 -0.332902D+01  0.282300D+01  0.267891D+00
      2  -0.519881D+00  0.392067D+01  0.601051D-01  0.608814D+00 -0.387112D+01
      3  -0.769069D+01 -0.316552D+01 -0.463705D+01  0.552479D+01  0.155196D+01
               196           197           198           199           200 
      1  -0.218748D+01  0.166911D+01  0.191124D+01 -0.203005D+01 -0.230666D+01
      2  -0.749451D+00 -0.780321D-01 -0.289906D+01  0.690208D+01  0.381232D+01
      3  -0.318484D+01  0.195649D+01  0.200934D+01  0.322828D+01  0.152524D+01
               201           202           203           204           205 
      1   0.476993D+00 -0.118838D+01 -0.267714D+01  0.500117D+00  0.139008D+01
      2  -0.593385D+01  0.420644D+01  0.420781D+01 -0.520487D+01 -0.746657D+01
      3  -0.215192D+01  0.250393D+01  0.363139D+01 -0.346419D+01 -0.300453D+01
               206           207           208           209           210 
      1   0.443449D+01 -0.607108D+00 -0.318156D+01  0.327450D+01  0.178720D+01
      2  -0.581257D+01  0.146089D+02 -0.511758D+01  0.324554D+01  0.429458D+01
      3  -0.390858D+01  0.458145D+01  0.434989D+01 -0.763129D+01 -0.422865D+00
               211           212           213           214           215 
      1   0.350438D+01 -0.328963D+01 -0.176983D+01  0.921442D+00  0.139744D+00
      2   0.380769D+01 -0.166714D+01 -0.446310D+01  0.496389D+00 -0.144440D+01
      3  -0.451929D+01  0.790406D+01 -0.895494D+00 -0.180932D+01  0.189089D+01
               216           217           218           219           220 
      1  -0.130372D+01  0.274487D+01  0.336477D+01  0.117929D+01  0.365702D+01
      2  -0.202727D+01 -0.516313D+00  0.637181D+00  0.196290D+01  0.104822D+00
      3   0.114089D+01 -0.420819D+01 -0.618862D+01 -0.305017D+01 -0.443621D+01
               221           222           223           224           225 
      1   0.736354D+01  0.414920D+00  0.216519D+01  0.321750D+01  0.145193D+01
      2   0.133365D+01  0.482008D+01 -0.363716D+00  0.113520D+01  0.372834D+01
      3  -0.119062D+02 -0.414763D+01 -0.301421D+01 -0.403967D+01 -0.310282D+01
               226           227           228           229           230 
      1  -0.163249D+01 -0.186444D+01  0.185853D+01 -0.368011D+00 -0.659955D+01
      2   0.457547D+01  0.226427D+01 -0.160746D+01  0.478915D+01  0.261552D+01
      3   0.541387D+00 -0.717916D-01 -0.133091D+00  0.233540D+01  0.262550D+01
               231           232           233           234           235 
      1   0.448226D+01  0.130092D+01  0.727997D+01 -0.666988D+01  0.253111D+01
      2  -0.527105D+01 -0.535748D+01 -0.344353D+01  0.604512D+01 -0.483300D+01
      3  -0.215797D+01 -0.790195D+00 -0.110565D+01  0.238011D+01  0.201504D+01
               236           237           238           239           240 
      1   0.388586D+01  0.701899D+00  0.243352D+01  0.516195D+01  0.337441D+00
      2  -0.110606D+01  0.219007D+01 -0.385018D+01 -0.464459D+00  0.938017D-01
      3  -0.245411D+01 -0.452427D-01  0.205077D+01 -0.260441D+01 -0.432966D+00
               241           242           243 
      1   0.116628D+01  0.263318D+01 -0.466390D+00
      2  -0.195515D+01 -0.104148D+01  0.638075D+00
      3   0.233524D+00 -0.106928D+01  0.419058D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.163230D+02  0.622291D+01 -0.120393D+01  0.130137D+02  0.759155D+00
      2  -0.100570D+02 -0.350130D+01 -0.262968D+01 -0.834764D+01  0.498209D+01
      3  -0.626599D+01 -0.272160D+01  0.383360D+01 -0.466606D+01 -0.574125D+01
      4   0.119086D+02  0.419345D+01  0.140060D+01  0.291143D+01 -0.412968D+01
      5  -0.136292D+01  0.370160D+01  0.987630D+01  0.690647D+01  0.812275D+01
      6  -0.947643D+00  0.125395D+01  0.606059D+01  0.418451D+01  0.688974D+01
                 6             7             8             9            10 
      1   0.330860D+01  0.368078D+01  0.619051D+01  0.713210D+01 -0.197813D+02
      2   0.150056D+00 -0.170166D+01  0.198430D-01 -0.213164D+01  0.296232D+01
      3  -0.345865D+01 -0.197912D+01 -0.621036D+01 -0.500046D+01  0.168190D+02
      4   0.488366D+01  0.495706D+01  0.731555D+01 -0.118436D+02 -0.248871D+02
      5  -0.536505D+01  0.655100D+01 -0.120943D+02 -0.148060D+01  0.849498D+01
      6  -0.134475D+01 -0.417318D+01 -0.302648D+01 -0.111745D+01  0.692290D+01
                11            12            13            14            15 
      1  -0.166357D+02  0.898807D+00 -0.173727D+02 -0.531387D+01  0.746822D+01
      2   0.125258D+02  0.236802D+01  0.103945D+02 -0.100011D+01  0.921379D+00
      3   0.410991D+01 -0.326682D+01  0.697820D+01  0.631398D+01 -0.838960D+01
      4  -0.120683D+02  0.291660D+01 -0.115184D+02  0.288984D+01 -0.410634D+01
      5   0.883909D+01  0.194325D+01  0.582088D+01 -0.599746D+01  0.736084D+01
      6   0.614437D+01 -0.121685D+01  0.624596D+00 -0.642951D+01  0.505047D+01
                16            17            18            19            20 
      1  -0.567901D+01  0.376550D+01  0.576023D+01 -0.197209D+02 -0.199272D+00
      2   0.275560D+01  0.593507D+00  0.137738D+02  0.123788D+02 -0.265068D+01
      3   0.292341D+01 -0.435901D+01 -0.195340D+02  0.734214D+01  0.284995D+01
      4  -0.245945D+01 -0.534604D+01  0.777481D+01 -0.187258D+01 -0.413587D+01
      5   0.146174D+01  0.969967D+01  0.916872D+01  0.131708D+01 -0.917665D+00
      6   0.274772D+01  0.807889D+01 -0.735596D+00  0.122129D+01 -0.190417D+01
                21            22            23            24            25 
      1  -0.959582D+00 -0.248402D+01  0.171752D+02  0.649773D+01 -0.323858D+01
      2   0.863403D+00  0.273905D+00 -0.249462D+02 -0.140270D+01  0.341560D+01
      3   0.961794D-01  0.221012D+01  0.777107D+01 -0.509504D+01 -0.177026D+00
      4   0.421806D+00 -0.835981D+01  0.315899D+01 -0.244225D-01 -0.717763D+01
      5  -0.773021D+01 -0.939320D+01 -0.366886D+01  0.296878D+01 -0.978933D+00
      6  -0.871097D+00 -0.247091D+00 -0.180701D+02 -0.110396D+02 -0.176207D+00
                26            27            28            29            30 
      1   0.800450D+01  0.238325D+01  0.246686D+01 -0.119768D+01 -0.933045D+00
      2  -0.143827D+02 -0.588832D+01  0.204300D+01  0.194361D+01  0.223419D+00
      3   0.637822D+01  0.350507D+01 -0.450986D+01 -0.745926D+00  0.709626D+00
      4  -0.603932D+00  0.237163D+01  0.115837D+01  0.124126D+02  0.322281D+01
      5   0.157098D+01 -0.699826D-01 -0.112742D+00  0.285507D+01  0.728441D+01
      6  -0.261831D+01 -0.106857D+02  0.412555D+01  0.666488D+00  0.137710D+01
                31            32            33            34            35 
      1   0.122171D+01 -0.414678D+02 -0.145751D+02  0.459136D+00 -0.166363D+02
      2  -0.341914D+00  0.619856D+02  0.117722D+02 -0.853181D+00  0.128837D+02
      3  -0.879795D+00 -0.205177D+02  0.280296D+01  0.394045D+00  0.375262D+01
      4   0.160352D+02  0.111402D+00 -0.728653D+00  0.564873D+01 -0.911718D+00
      5   0.503541D+01  0.171727D+01  0.124887D+01  0.849284D+01  0.217394D+01
      6  -0.235267D+00  0.290670D+02  0.229351D+02  0.933634D+00  0.249896D+02
                36            37            38            39            40 
      1  -0.178547D+02  0.134481D+02  0.215317D+01  0.669040D+00 -0.614482D+01
      2   0.769149D+01 -0.431927D+01 -0.192672D+01  0.151635D+01  0.679175D+01
      3   0.101632D+02 -0.912879D+01 -0.226450D+00 -0.218539D+01 -0.646932D+00
      4  -0.296106D+00 -0.409117D+01  0.930784D+01  0.106338D+02  0.626639D+01
      5   0.230320D+01 -0.525966D+01  0.899506D+01 -0.646229D+01  0.145535D+02
      6   0.228851D+02  0.510090D+01 -0.102769D+01 -0.742812D+01  0.127531D+01
                41            42            43            44            45 
      1   0.824500D+01  0.104573D+02 -0.117293D+01  0.115131D+02 -0.123712D+02
      2  -0.412946D+01 -0.102655D+02 -0.470636D+00 -0.843440D+01  0.843952D+01
      3  -0.411554D+01 -0.191776D+00  0.164357D+01 -0.307873D+01  0.393173D+01
      4  -0.199511D+01  0.402233D+01  0.146171D+02  0.421183D+00 -0.383700D+01
      5   0.389600D+01 -0.953122D+01 -0.148958D+02 -0.190117D+01 -0.158516D+01
      6   0.655149D+00 -0.137709D+01 -0.408146D+01 -0.168205D+01  0.604638D+01
                46            47            48            49            50 
      1  -0.614339D+00 -0.544191D+01 -0.841985D+01 -0.806567D+01 -0.467936D+01
      2   0.424816D+01  0.245186D+01  0.113939D+02  0.357959D+01  0.450795D+01
      3  -0.363382D+01  0.299005D+01 -0.297407D+01  0.448608D+01  0.171403D+00
      4   0.642513D+01 -0.527713D+01 -0.670266D+01 -0.604541D+01  0.602057D+01
      5   0.304897D+01 -0.216322D+01 -0.732803D+01 -0.318961D+01  0.469255D+01
      6  -0.406506D+01  0.152462D+02  0.599736D+01  0.120653D+02 -0.302804D+01
                51            52            53            54            55 
      1  -0.157916D+01 -0.779039D+01 -0.401422D+01  0.419352D+01  0.143473D+00
      2   0.363206D+01  0.102104D+02  0.651095D+01 -0.510438D+01  0.379584D+00
      3  -0.205290D+01 -0.242005D+01 -0.249673D+01  0.910862D+00 -0.523057D+00
      4   0.841393D+01 -0.112100D+02  0.984666D+01  0.472638D+01  0.686239D-01
      5   0.490193D+01 -0.363969D+01  0.548250D+01  0.213577D+01 -0.199144D+01
      6  -0.590747D+01  0.700192D+01 -0.716895D+01 -0.458019D+01  0.364648D+01
                56            57            58            59            60 
      1   0.780427D+01  0.101162D+02  0.107102D+02  0.118045D+02  0.259505D+01
      2  -0.168981D+02 -0.145334D+02 -0.155104D+02 -0.241468D+02 -0.864835D+01
      3   0.909380D+01  0.441718D+01  0.480021D+01  0.123423D+02  0.605330D+01
      4  -0.570212D+01  0.309613D+01 -0.218308D+01 -0.111434D+02 -0.918562D+01
      5  -0.117540D+01 -0.284654D+01 -0.238345D+01 -0.375226D+01  0.204620D+01
      6  -0.157170D+02  0.953251D+01 -0.106872D+02 -0.768694D+01 -0.898187D+00
                61            62            63            64            65 
      1   0.105237D+02  0.543879D+01  0.238035D+01 -0.238279D+02 -0.216334D+02
      2  -0.142234D+02 -0.135336D+02 -0.310249D+01  0.195907D+02  0.120905D+02
      3   0.369968D+01  0.809478D+01  0.722144D+00  0.423727D+01  0.954290D+01
      4   0.528488D+01 -0.127885D+02  0.561408D+01 -0.215041D+02  0.303431D+01
      5  -0.326026D+01  0.189005D+01 -0.399228D+01 -0.725896D+01 -0.103948D+02
      6   0.940544D+01 -0.572458D+01  0.487794D+01 -0.291914D+01  0.381954D+01
                66            67            68            69            70 
      1  -0.883220D+01 -0.288523D+02  0.438438D+01 -0.151896D+02 -0.846594D+01
      2   0.737565D+01  0.162817D+02 -0.499577D+01  0.113352D+02  0.592793D+01
      3   0.145655D+01  0.125706D+02  0.611387D+00  0.385440D+01  0.253801D+01
      4  -0.783942D+01 -0.172491D+01  0.985758D+01 -0.502280D+01 -0.978816D+01
      5  -0.784318D+01 -0.133807D+02 -0.781484D+01  0.208199D+02 -0.123900D+02
      6   0.167296D+01  0.176339D+01  0.710422D+01 -0.143896D+02  0.779213D+01
                71            72            73            74            75 
      1  -0.149927D+02  0.425007D+00  0.202766D+01  0.222030D+01 -0.333967D+01
      2   0.115339D+02 -0.667151D+01 -0.357789D+01 -0.200162D+01  0.748049D+00
      3   0.345885D+01  0.624650D+01  0.155023D+01 -0.218677D+00  0.259162D+01
      4  -0.424951D+01  0.211921D+02  0.241721D+01  0.155856D+01 -0.842357D+00
      5   0.214491D+02  0.112390D+02 -0.310272D+01 -0.342164D+00  0.450365D+01
      6  -0.155978D+02 -0.306429D+01 -0.108157D+01  0.323860D+00 -0.108022D+01
                76            77            78            79            80 
      1   0.637093D+00 -0.170211D+01 -0.180167D+01 -0.215565D+01  0.606276D+00
      2   0.819126D+00 -0.126425D+01 -0.603609D+01  0.553421D+01 -0.421043D+01
      3  -0.145622D+01  0.296636D+01  0.783776D+01 -0.337856D+01  0.360415D+01
      4   0.249491D+01 -0.202262D+01 -0.191492D+01 -0.192751D+01 -0.286205D+01
      5   0.194193D+01 -0.188812D+01 -0.597103D+01  0.930821D+01 -0.138447D+01
      6  -0.814294D+00  0.180611D+01  0.374264D+01  0.121876D+01  0.526786D+01
                81            82            83            84            85 
      1  -0.160250D+02  0.411922D+02  0.108017D+02 -0.334579D+01  0.916615D+01
      2  -0.225829D+02 -0.168428D+02 -0.932851D+00  0.314165D+01 -0.592129D-02
      3   0.386079D+02 -0.243494D+02 -0.986886D+01  0.204144D+00 -0.916023D+01
      4   0.240353D+00  0.333078D+02  0.205327D+02 -0.557223D+01  0.180952D+02
      5  -0.215714D+02 -0.164458D+02 -0.773453D+01  0.950417D+01 -0.537430D+01
      6  -0.904989D+01 -0.797491D+01 -0.611789D+01  0.485623D+01 -0.405009D+01
                86            87            88            89            90 
      1   0.428167D+01 -0.133716D+01  0.405289D+01  0.823009D-01  0.219443D+01
      2   0.405824D+01  0.251852D+00 -0.132811D+00  0.835655D+00 -0.388097D+01
      3  -0.833990D+01  0.108531D+01 -0.392008D+01 -0.917956D+00  0.168654D+01
      4   0.141602D+02 -0.242516D+01  0.156215D+01  0.239682D+01  0.327948D+01
      5  -0.288711D+01  0.270421D+01  0.625344D+01  0.167628D+01 -0.309336D+01
      6  -0.383746D+01  0.314706D+01  0.291179D+01  0.161021D+01 -0.917025D+00
                91            92            93            94            95 
      1  -0.175046D+02  0.809997D+01  0.166721D+02  0.149296D+02 -0.117578D+02
      2   0.118013D+02 -0.149491D+02 -0.603375D+01 -0.235179D+02 -0.404596D+01
      3   0.570328D+01  0.684915D+01 -0.106384D+02  0.858839D+01  0.158037D+02
      4   0.862730D+01 -0.938434D+01 -0.118850D+02 -0.124380D+02 -0.163970D+02
      5   0.146332D+02 -0.170733D+02  0.420874D+01 -0.245541D+02 -0.171854D+01
      6  -0.715482D+01  0.410993D+00  0.125731D+02 -0.767332D+00  0.551917D+00
                96            97            98            99           100 
      1  -0.169699D+02  0.143160D+02 -0.139362D+02  0.179425D+02 -0.148201D+02
      2   0.799059D+01 -0.519605D+01  0.300715D+01 -0.445605D+01  0.720922D+00
      3   0.897927D+01 -0.911993D+01  0.109291D+02 -0.134864D+02  0.140992D+02
      4  -0.848901D+01 -0.159046D+02 -0.101016D+02  0.663919D+01  0.121587D+02
      5   0.118291D+02  0.867435D+01  0.568716D+01 -0.457791D+00 -0.214175D+00
      6   0.357381D+01  0.123602D+02  0.201134D+01  0.177989D+01 -0.499898D+00
               101           102           103           104           105 
      1   0.126756D+02 -0.366924D+01  0.156337D+02 -0.175356D+02 -0.153403D+02
      2   0.201975D+01 -0.477560D+01 -0.440980D+00  0.105852D+02  0.545679D+01
      3  -0.146954D+02  0.844484D+01 -0.151927D+02  0.695038D+01  0.988351D+01
      4  -0.197800D+02 -0.112341D+02 -0.255096D+02 -0.286178D+01 -0.822972D+01
      5  -0.889668D+01  0.119375D+02 -0.117825D+02 -0.129472D+02 -0.383532D+01
      6  -0.623195D+01 -0.618346D+01 -0.996600D+01 -0.419472D+01 -0.565082D+01
               106           107           108           109           110 
      1   0.621448D+00 -0.177920D+02  0.181344D+02 -0.234557D+00  0.291345D+01
      2  -0.619670D+01  0.745688D+01 -0.691133D+01 -0.371929D+01  0.480549D+01
      3   0.557525D+01  0.103351D+02 -0.112231D+02  0.395385D+01 -0.771894D+01
      4  -0.164850D+02 -0.383423D+01 -0.237914D+01 -0.760037D+01 -0.543554D+01
      5   0.153185D+02 -0.545271D+01  0.308147D+01 -0.400218D+01 -0.131531D+02
      6  -0.896468D+01 -0.319929D+01  0.808421D+00 -0.787462D+01 -0.106667D+02
               111           112           113           114           115 
      1   0.440176D+01  0.620337D+00  0.322455D+00 -0.946039D+01  0.490325D+01
      2  -0.517181D+01  0.550395D+01  0.268995D+01 -0.576240D+01 -0.578493D+01
      3   0.770042D+00 -0.612428D+01 -0.301240D+01  0.152228D+02  0.881679D+00
      4  -0.839779D+01 -0.800588D+01 -0.316511D+01 -0.685741D+01 -0.732552D+01
      5  -0.258835D+01 -0.133121D+02 -0.868863D+01 -0.533102D+01 -0.458845D+01
      6  -0.114885D+02 -0.957472D+01 -0.491311D+01 -0.539280D+01 -0.773912D+01
               116           117           118           119           120 
      1  -0.949974D+01 -0.312647D+01  0.392039D+01  0.277722D+01  0.187163D+01
      2  -0.523407D+01  0.505529D+01 -0.167944D+01 -0.526995D+01  0.122407D+00
      3   0.147338D+02 -0.192882D+01 -0.224095D+01  0.249273D+01 -0.199403D+01
      4  -0.556448D+01  0.296831D+01 -0.150069D+02  0.131452D+02  0.932738D+01
      5  -0.189973D+01 -0.241321D+01 -0.116384D+02  0.744008D+01  0.109008D+02
      6  -0.318062D+01  0.611001D+01  0.100304D+02 -0.975150D+01 -0.956340D+01
               121           122           123           124           125 
      1   0.368477D+01 -0.974349D+01 -0.587187D+01  0.224386D+01 -0.624745D+01
      2  -0.565492D+01  0.138079D+02  0.435785D+01 -0.423933D+00  0.354369D+01
      3   0.197015D+01 -0.406437D+01  0.151402D+01 -0.181993D+01  0.270376D+01
      4   0.111588D+02 -0.133113D+02 -0.784048D+01  0.846987D+01 -0.829014D+01
      5   0.613415D+01 -0.704338D+01 -0.598461D+01  0.971487D+01 -0.684347D+01
      6  -0.912118D+01  0.146227D+02  0.128711D+02 -0.935416D+01  0.137321D+02
               126           127           128           129           130 
      1  -0.835533D+01 -0.186387D+01 -0.755609D+01 -0.122445D+01 -0.507093D+01
      2  -0.289419D+00  0.827108D+01  0.183776D+02  0.308937D+01  0.123066D+02
      3   0.864474D+01 -0.640722D+01 -0.108215D+02 -0.186492D+01 -0.723565D+01
      4  -0.897665D+01  0.915922D+01  0.152600D+02  0.141127D+01  0.115772D+02
      5  -0.997658D+01  0.597335D+00  0.776441D+00  0.299207D+01  0.598502D-01
      6   0.156806D+02  0.949703D+00  0.276098D+01  0.197826D+01  0.226340D+01
               131           132           133           134           135 
      1  -0.325915D+02 -0.408408D+01 -0.222334D+01 -0.101352D+02 -0.562745D+01
      2   0.628713D+02  0.801560D+01  0.455635D+01  0.188704D+02  0.779267D+01
      3  -0.302798D+02 -0.393153D+01 -0.233301D+01 -0.873520D+01 -0.216521D+01
      4   0.182278D+02  0.311904D+01  0.344217D+01  0.623359D+01  0.262856D+01
      5   0.247417D+01  0.133039D+01  0.248225D+01  0.221606D+01  0.166101D+01
      6   0.718894D+01  0.883885D+01  0.164589D+01  0.113517D+02  0.611338D+01
               136           137           138           139           140 
      1  -0.143270D+00  0.643771D+01 -0.487766D+01  0.244266D+01 -0.974036D+01
      2   0.124475D+01 -0.886957D+01  0.470697D+01 -0.372758D+01  0.145722D+02
      3  -0.110148D+01  0.243186D+01  0.170693D+00  0.128492D+01 -0.483187D+01
      4  -0.105983D+02  0.842080D+01 -0.680826D+01  0.615841D+01 -0.489395D+01
      5   0.688469D+01 -0.305223D+01  0.568330D+01 -0.175895D+01  0.366416D+01
      6  -0.827899D+01  0.981360D+01 -0.105104D+02  0.645017D+01 -0.948296D+01
               141           142           143           144           145 
      1   0.546344D+01 -0.446603D+01  0.981914D+01 -0.105901D+02  0.170771D+01
      2  -0.522945D+01  0.308154D+01 -0.913230D+01  0.354427D+01 -0.527911D+00
      3  -0.233991D+00  0.138449D+01 -0.686844D+00  0.704587D+01 -0.117980D+01
      4   0.491151D+01 -0.781743D+01  0.616713D+01 -0.681894D+01 -0.505682D+00
      5  -0.236448D+01  0.717792D+01 -0.313501D+01  0.535664D+01  0.264478D+01
      6   0.991616D+01 -0.936981D+01  0.154164D+02 -0.199979D+02 -0.211948D+01
               146           147           148           149           150 
      1  -0.264767D+01  0.463263D+01 -0.350261D+01 -0.106348D+02  0.782003D+01
      2   0.172361D+01 -0.233087D+01 -0.114039D+01  0.199731D+02 -0.826314D+01
      3   0.924068D+00 -0.230176D+01  0.464300D+01 -0.933830D+01  0.443114D+00
      4   0.300233D+01 -0.166326D+01  0.121209D+02 -0.258941D+02  0.120047D+02
      5  -0.658822D+00  0.200735D+01 -0.381733D+01  0.131588D+02 -0.144745D+02
      6  -0.127109D+01  0.939665D+00  0.295637D+01 -0.156801D+02  0.140927D+02
               151           152           153           154           155 
      1   0.713687D+01  0.799858D+01 -0.716427D+01  0.632786D+02  0.115690D+02
      2  -0.306088D+01 -0.941534D+01  0.332044D+01 -0.369797D+02 -0.813249D+01
      3  -0.407599D+01  0.141676D+01  0.384383D+01 -0.262990D+02 -0.343646D+01
      4  -0.733258D+01  0.156838D+02 -0.128618D+02  0.336158D+01  0.971624D+01
      5   0.833898D+01 -0.144514D+02  0.144307D+02  0.145775D+02  0.306343D+01
      6  -0.401527D+01  0.151339D+02 -0.138334D+02 -0.892112D+00  0.475339D+00
               156           157           158           159           160 
      1   0.989720D+01  0.301738D+02  0.874331D+01  0.524655D+01  0.137791D+02
      2  -0.731943D+01 -0.179096D+02 -0.502692D+01 -0.457649D+01 -0.965969D+01
      3  -0.257777D+01 -0.122643D+02 -0.371639D+01 -0.670066D+00 -0.411939D+01
      4   0.117518D+01  0.884229D+01  0.100152D+02  0.278069D+01  0.130047D+01
      5   0.122208D+02  0.767439D+01  0.395148D+01  0.525617D+01  0.136114D+02
      6  -0.148146D+01  0.408229D+00  0.492688D+00  0.195628D+01 -0.134237D+01
               161           162           163           164           165 
      1   0.353382D+01  0.722033D+01  0.107863D+02 -0.194836D+01 -0.473959D+01
      2  -0.338608D+01 -0.552961D+01 -0.552405D+01 -0.767937D+00  0.147991D+01
      3  -0.147747D+00 -0.169071D+01 -0.526225D+01  0.271630D+01  0.325968D+01
      4   0.369371D+01 -0.861959D+00 -0.576185D+01  0.657736D+01  0.674543D+01
      5   0.375270D+00  0.617812D+01 -0.671108D+01  0.572708D+01  0.941145D+01
      6   0.323814D+01  0.213657D-01  0.394621D+01 -0.266524D+01 -0.338517D+01
               166           167           168           169           170 
      1  -0.305494D+01 -0.231019D+00  0.196807D+01 -0.133181D+02  0.330878D+01
      2  -0.162019D+01  0.633083D+01  0.143819D+01  0.610690D+01  0.190699D+01
      3   0.467513D+01 -0.609981D+01 -0.340626D+01  0.721120D+01 -0.521577D+01
      4   0.118168D+02 -0.153961D+02 -0.854870D+01  0.147930D+02 -0.149478D+02
      5   0.705800D+01 -0.760685D+01 -0.125115D+02  0.162859D+02 -0.141905D+02
      6  -0.402903D+01  0.614009D+01  0.101426D+02 -0.738981D+01  0.110837D+02
               171           172           173           174           175 
      1   0.159830D+01 -0.508000D+01  0.218189D+01 -0.110693D+02  0.668414D+00
      2  -0.346316D+01 -0.148443D+00 -0.394251D+00 -0.285319D+00  0.120052D+01
      3   0.186487D+01  0.522844D+01 -0.178764D+01  0.113546D+02 -0.186894D+01
      4  -0.144603D+02 -0.294967D+01 -0.527488D+00  0.773138D+00  0.275781D+01
      5  -0.282509D+02  0.172657D+01  0.285943D+01 -0.274544D+01  0.135902D+01
      6   0.152918D+02 -0.106631D+01  0.420343D+01 -0.640320D+01  0.150743D+01
               176           177           178           179           180 
      1  -0.430679D+01  0.760894D+01 -0.103671D+02  0.753435D+01 -0.235605D+02
      2   0.230137D+01 -0.181517D+01  0.254560D+01 -0.135766D+01 -0.829666D+01
      3   0.200542D+01 -0.579377D+01  0.782154D+01 -0.617669D+01  0.318571D+02
      4   0.335047D+01 -0.190406D+01 -0.179914D+01 -0.310302D+01  0.247006D+01
      5  -0.228319D+01  0.199427D+01  0.454164D+01  0.403671D+01 -0.164449D+02
      6  -0.552758D+01  0.822785D+01 -0.251185D+01  0.929086D+01 -0.150540D+02
               181           182           183           184           185 
      1   0.117729D+02  0.572356D+01 -0.387125D+00  0.925178D+01  0.186413D+01
      2  -0.180551D+01  0.394786D+01  0.102832D+01  0.486381D+01  0.195682D+02
      3  -0.996743D+01 -0.967142D+01 -0.641190D+00 -0.141156D+02 -0.214323D+02
      4   0.122805D+02  0.156696D+02  0.216925D+01  0.223753D+02  0.338800D+02
      5  -0.293860D+01  0.183208D+00  0.319592D+01 -0.188583D+01 -0.190130D+01
      6  -0.109405D+01 -0.302016D+01  0.135215D+00 -0.445966D+01 -0.898157D+01
               186           187           188           189           190 
      1   0.287779D+01  0.462693D+01  0.324252D+01 -0.992243D+00  0.460072D+02
      2   0.180006D+01  0.431330D-01  0.371019D+01  0.168489D+01 -0.308344D+02
      3  -0.467784D+01 -0.467006D+01 -0.695271D+01 -0.692643D+00 -0.151727D+02
      4   0.104590D+01  0.799204D+01  0.879943D+01  0.313138D+01 -0.529214D+01
      5   0.626290D+01  0.167184D+01  0.282904D+01  0.365730D+01 -0.290558D+02
      6   0.503450D+01  0.401658D-01  0.217088D+01  0.155228D+01  0.307972D+01
               191           192           193           194           195 
      1  -0.984672D+01 -0.126116D+02 -0.219793D+02  0.864352D+01  0.637570D+01
      2   0.842909D+01  0.123547D+02  0.165222D+02 -0.431955D+01 -0.763394D+01
      3   0.141762D+01  0.256963D+00  0.545705D+01 -0.432396D+01  0.125823D+01
      4   0.102025D+02  0.225801D+01  0.104900D+02 -0.806605D+01 -0.271717D+01
      5   0.671272D+01  0.176692D+02  0.168901D+02 -0.649213D+01 -0.124907D+02
      6  -0.463834D+01 -0.137199D+01 -0.430456D+01  0.495755D+01  0.240754D+01
               196           197           198           199           200 
      1  -0.880956D+01  0.273454D+01  0.404117D+01 -0.530714D+01 -0.507390D+01
      2   0.967127D+01 -0.271177D+01 -0.797812D+01  0.215167D+01  0.152506D+01
      3  -0.861707D+00 -0.227735D-01  0.393695D+01  0.315547D+01  0.354884D+01
      4   0.276388D+01 -0.139596D+01 -0.249051D+01 -0.687030D+00  0.107333D+01
      5   0.143118D+02 -0.447771D+01 -0.119141D+02 -0.254320D+01  0.600602D+00
      6  -0.219098D+01  0.250710D+01  0.487047D+00 -0.181586D+01 -0.216342D+01
               201           202           203           204           205 
      1   0.819083D+01 -0.626947D+01 -0.423599D+01  0.756493D+01  0.796035D+01
      2   0.241589D+01  0.298405D+01  0.133872D+01  0.662124D+00 -0.189076D+01
      3  -0.106067D+02  0.328542D+01  0.289726D+01 -0.822705D+01 -0.606960D+01
      4   0.171465D+01  0.402364D+01 -0.340517D+01  0.439513D+01  0.555309D+00
      5  -0.347974D+01 -0.137884D+01  0.404845D+01 -0.529720D+01  0.389121D+01
      6   0.261035D+01 -0.406236D+00 -0.502553D+01  0.752746D+01  0.229940D+01
               206           207           208           209           210 
      1   0.871313D+01 -0.204219D+02  0.416481D+02 -0.155227D+02  0.334026D+00
      2  -0.100897D+01 -0.884479D+01 -0.172464D+02  0.323825D+01 -0.166376D+01
      3  -0.770416D+01  0.292667D+02 -0.244017D+02  0.122844D+02  0.132973D+01
      4   0.479628D+01 -0.490410D+01 -0.237021D+02  0.191139D+02 -0.291941D-01
      5  -0.416137D+01  0.155968D+02  0.965528D+01 -0.312659D+01  0.750671D+01
      6   0.806446D+01 -0.967837D+01 -0.506670D+01  0.508182D+01 -0.138395D+01
               211           212           213           214           215 
      1  -0.228184D+02  0.119744D+02  0.145229D+01 -0.101894D+02  0.470073D+01
      2   0.632390D+01  0.648429D+00  0.146156D+01  0.368907D+01 -0.131619D+00
      3   0.164945D+02 -0.126228D+02 -0.291384D+01  0.650029D+01 -0.456911D+01
      4   0.239429D+02 -0.205287D+02  0.168289D+01  0.613263D+01 -0.433631D+01
      5  -0.542909D+01  0.476278D+01 -0.619482D+01  0.387000D+01 -0.254885D+01
      6   0.584526D+01 -0.460900D+01  0.380870D+01 -0.536423D+00  0.179633D+01
               216           217           218           219           220 
      1   0.177377D+01  0.170657D+02  0.615925D+01  0.551821D+01  0.138744D+02
      2  -0.899592D+00 -0.970207D+01 -0.468849D+01 -0.491960D+01 -0.909854D+01
      3  -0.874181D+00 -0.736359D+01 -0.147076D+01 -0.598609D+00 -0.477581D+01
      4  -0.361877D+01  0.934622D+01  0.126509D+02  0.567575D+01  0.175516D+02
      5  -0.251363D+01  0.121263D+02  0.774410D+01  0.869607D+01  0.152066D+02
      6   0.139989D+00  0.463113D+01  0.539587D+01  0.401022D+01  0.828444D+01
               221           222           223           224           225 
      1   0.713313D+01  0.409647D+01  0.450304D+01  0.267607D+01 -0.239864D+00
      2  -0.230142D+01 -0.641866D+01 -0.526329D+01 -0.373828D+01 -0.517311D+01
      3  -0.483170D+01  0.232218D+01  0.760249D+00  0.106221D+01  0.541297D+01
      4   0.208250D+02  0.898932D+01  0.612414D+01  0.614426D+01  0.642580D+01
      5   0.113775D+02  0.146210D+02  0.935075D+01  0.794457D+01  0.109604D+02
      6   0.121982D+02  0.838253D+01  0.478584D+01  0.655790D+01  0.496691D+01
               226           227           228           229           230 
      1  -0.623562D+00 -0.303506D+00  0.201856D+01 -0.976678D+00 -0.447198D+01
      2  -0.212970D+01 -0.148215D+01  0.217995D+01 -0.220668D-01 -0.306096D+01
      3   0.275326D+01  0.178565D+01 -0.419851D+01  0.998744D+00  0.753294D+01
      4   0.630736D+00  0.204176D+01  0.319079D+00  0.295686D+01 -0.228182D+01
      5  -0.135587D+01 -0.102461D+01  0.478014D+01 -0.273170D+01  0.268171D+01
      6  -0.113568D+01  0.248063D-02  0.794111D+00  0.333622D+00 -0.807220D+01
               231           232           233           234           235 
      1   0.850165D+01  0.912063D+00  0.557011D+01 -0.163221D+02  0.846015D+01
      2   0.782620D+01  0.572458D+00  0.532693D+01 -0.172892D+02 -0.606166D+01
      3  -0.163278D+02 -0.148452D+01 -0.108970D+02  0.336113D+02 -0.239850D+01
      4   0.295139D+01 -0.682717D-01  0.175556D+01 -0.200996D+01  0.138715D+02
      5  -0.405463D+01  0.628814D+01 -0.101626D+01  0.610135D+01  0.178319D+02
      6   0.989336D+01  0.162351D+01  0.843591D+01 -0.689262D+01  0.103326D+02
               236           237           238           239           240 
      1   0.616854D+00 -0.214468D+00  0.388551D+00 -0.530767D+01 -0.356427D+01
      2  -0.788219D+00 -0.504152D+01 -0.157497D+00  0.579511D+01 -0.783373D-01
      3   0.171365D+00  0.525599D+01 -0.231054D+00 -0.487441D+00  0.364260D+01
      4   0.119813D+02  0.841942D+01  0.122543D+02  0.132572D+02  0.833907D+01
      5   0.109213D+02  0.150758D+02  0.117314D+02  0.101423D+02  0.100615D+02
      6   0.957621D+01  0.983016D+01  0.102458D+02  0.145706D+02  0.128254D+02
               241           242           243 
      1  -0.154012D+01 -0.264966D+01 -0.477735D+01
      2  -0.294897D+01  0.674231D-02 -0.505824D+01
      3   0.448908D+01  0.264292D+01  0.983560D+01
      4   0.565179D+01  0.508136D+01  0.589673D+01
      5   0.102012D+02  0.678800D+01  0.114386D+02
      6   0.734137D+01  0.904481D+01  0.955140D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118001D+03      0.174859D+02      0.194557D+02
   aniso      0.171152D+02      0.253621D+01      0.282192D+01
   xx         0.128045D+03      0.189743D+02      0.211118D+02
   yx         0.262455D+00      0.388919D-01      0.432730D-01
   yy         0.117584D+03      0.174242D+02      0.193870D+02
   zx        -0.454864D+00     -0.674039D-01     -0.749970D-01
   zy         0.706073D+00      0.104629D+00      0.116416D+00
   zz         0.108374D+03      0.160593D+02      0.178684D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118001D+03      0.174859D+02      0.194557D+02
   aniso      0.171152D+02      0.253621D+01      0.282192D+01
   xx         0.128030D+03      0.189720D+02      0.211092D+02
   yx        -0.880342D-01     -0.130453D-01     -0.145149D-01
   yy         0.109591D+03      0.162397D+02      0.180691D+02
   zx         0.604404D+00      0.895635D-01      0.996528D-01
   zy         0.321094D+01      0.475812D+00      0.529412D+00
   zz         0.116382D+03      0.172460D+02      0.191888D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K11-26-01\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\16-Jul-2021
 \0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,
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 \@


 Ideas are like rabbits. You get a couple and learn
 how to handle them, and pretty soon you have a dozen.
                                    -- John Steinbeck
 Job cpu time:       0 days 21 hours 49 minutes  4.9 seconds.
 Elapsed time:       0 days  2 hours 44 minutes 59.6 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:59:06 2021.
